smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+](C)C2CCCCC2)CCS1 ZINC001359748121 1064332559 /nfs/dbraw/zinc/33/25/59/1064332559.db2.gz OYVSTNPUERFNMJ-HSZRJFAPSA-N 1 1 452.672 4.659 20 30 JJEDMO CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@@H+](C)C2CCCCC2)CCS1 ZINC001359755380 1064348454 /nfs/dbraw/zinc/34/84/54/1064348454.db2.gz ZAFRLKZABVFGFJ-VWLOTQADSA-N 1 1 496.725 4.961 20 30 JJEDMO CN(C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001435188234 1064577209 /nfs/dbraw/zinc/57/72/09/1064577209.db2.gz BZNPLBMHPQKNFP-QHCPKHFHSA-N 1 1 452.558 4.644 20 30 JJEDMO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001359952388 1064715050 /nfs/dbraw/zinc/71/50/50/1064715050.db2.gz UVFZGMDAJFBBKX-MUUNZHRXSA-N 1 1 494.684 4.611 20 30 JJEDMO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001359952388 1064715062 /nfs/dbraw/zinc/71/50/62/1064715062.db2.gz UVFZGMDAJFBBKX-MUUNZHRXSA-N 1 1 494.684 4.611 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001360007710 1064795827 /nfs/dbraw/zinc/79/58/27/1064795827.db2.gz GIUIQAYMJGDPOX-OALUTQOASA-N 1 1 460.573 4.653 20 30 JJEDMO CC(C)CSCCCn1c(C2CCC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001360077844 1064931372 /nfs/dbraw/zinc/93/13/72/1064931372.db2.gz YJZXBTJJTGIIDI-UHFFFAOYSA-N 1 1 452.672 4.519 20 30 JJEDMO CC(C)[N@@H+](C)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCCC2)CC1 ZINC001360095338 1064969183 /nfs/dbraw/zinc/96/91/83/1064969183.db2.gz FXTJRTBDWNWGPZ-UHFFFAOYSA-N 1 1 462.642 4.786 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360470138 1065386821 /nfs/dbraw/zinc/38/68/21/1065386821.db2.gz LXCXSMNBCSUXQG-QGZVFWFLSA-N 1 1 459.436 4.568 20 30 JJEDMO CC[NH+](CC)[C@H](C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)c1cccc(C(F)(F)F)c1 ZINC001438684807 1065743343 /nfs/dbraw/zinc/74/33/43/1065743343.db2.gz CEWFWWJGXJSFDG-QFIPXVFZSA-N 1 1 455.484 4.843 20 30 JJEDMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001360741526 1065775571 /nfs/dbraw/zinc/77/55/71/1065775571.db2.gz PZWDAUHPHVKISF-WOJBJXKFSA-N 1 1 454.594 4.562 20 30 JJEDMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001360744007 1065781243 /nfs/dbraw/zinc/78/12/43/1065781243.db2.gz MVLCIUUFVYPVCM-RTWAWAEBSA-N 1 1 468.621 4.952 20 30 JJEDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCOCC1 ZINC001439131181 1065791143 /nfs/dbraw/zinc/79/11/43/1065791143.db2.gz PRFUUSTWXPTJDU-UHFFFAOYSA-N 1 1 455.558 4.762 20 30 JJEDMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001360770002 1065863938 /nfs/dbraw/zinc/86/39/38/1065863938.db2.gz RHUJUQNXCSCEHG-RNHFSVANSA-N 1 1 472.584 4.654 20 30 JJEDMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001360770003 1065864138 /nfs/dbraw/zinc/86/41/38/1065864138.db2.gz RHUJUQNXCSCEHG-ZYLNGJIFSA-N 1 1 472.584 4.654 20 30 JJEDMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360775507 1065878073 /nfs/dbraw/zinc/87/80/73/1065878073.db2.gz VPGDQBCIJFYDPB-WSNOQYBDSA-N 1 1 468.621 4.808 20 30 JJEDMO O=C(N[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cc(F)c(C(F)(F)F)cc1F ZINC001440296141 1065928610 /nfs/dbraw/zinc/92/86/10/1065928610.db2.gz LFNSFEPXCYHLAL-SFHVURJKSA-N 1 1 452.345 4.920 20 30 JJEDMO O=C(N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)c(C(F)(F)F)cc1F ZINC001440296141 1065928623 /nfs/dbraw/zinc/92/86/23/1065928623.db2.gz LFNSFEPXCYHLAL-SFHVURJKSA-N 1 1 452.345 4.920 20 30 JJEDMO C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001440735264 1065972665 /nfs/dbraw/zinc/97/26/65/1065972665.db2.gz RJBVNMRNUGUSRY-QFIPXVFZSA-N 1 1 450.970 4.657 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)c1C ZINC001360875870 1066020086 /nfs/dbraw/zinc/02/00/86/1066020086.db2.gz ZZRBGLQNMZGUON-FMGHJNRGSA-N 1 1 494.684 4.522 20 30 JJEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001443809836 1066370638 /nfs/dbraw/zinc/37/06/38/1066370638.db2.gz ZGSFQWTYLUUIBD-AREMUKBSSA-N 1 1 454.574 4.659 20 30 JJEDMO CCc1ccc(C[NH+]2CCN(C(=O)c3cn(CCC#N)nc3-c3ccc(C)c(C)c3)CC2)cc1 ZINC001455228353 1066373412 /nfs/dbraw/zinc/37/34/12/1066373412.db2.gz UDCUGLQFORYJHV-UHFFFAOYSA-N 1 1 455.606 4.601 20 30 JJEDMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361156314 1066458114 /nfs/dbraw/zinc/45/81/14/1066458114.db2.gz SGPMXHAYZIEGRW-HOFKKMOUSA-N 1 1 464.658 4.724 20 30 JJEDMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361156316 1066458968 /nfs/dbraw/zinc/45/89/68/1066458968.db2.gz SGPMXHAYZIEGRW-WNCULLNHSA-N 1 1 464.658 4.724 20 30 JJEDMO Cc1ccc(-c2nnc(N(CCC#N)CCC(C)C)n2Cc2ccc(-n3cc[nH+]c3C)nc2)o1 ZINC001361191511 1066518343 /nfs/dbraw/zinc/51/83/43/1066518343.db2.gz VUPURYOPDWZOLK-UHFFFAOYSA-N 1 1 458.570 4.550 20 30 JJEDMO C=CC1(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC001456651003 1066658703 /nfs/dbraw/zinc/65/87/03/1066658703.db2.gz RFTMYUBXOCZRTF-LOSJGSFVSA-N 1 1 475.633 4.584 20 30 JJEDMO CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001492613164 1066675648 /nfs/dbraw/zinc/67/56/48/1066675648.db2.gz JGHNKDJPNNCDAG-ZRZAMGCNSA-N 1 1 462.642 4.643 20 30 JJEDMO Cc1[nH+]ccn1CCCCn1c(-c2cccc(C#N)c2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001492704927 1066863847 /nfs/dbraw/zinc/86/38/47/1066863847.db2.gz QOWODJTUHMGUCA-UHFFFAOYSA-N 1 1 455.488 4.501 20 30 JJEDMO Cc1[nH+]ccn1CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@@H](C)CC#N ZINC001492705982 1066866989 /nfs/dbraw/zinc/86/69/89/1066866989.db2.gz YLJDJSQVJPZDNT-HNNXBMFYSA-N 1 1 474.382 4.570 20 30 JJEDMO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC001449271982 1066994648 /nfs/dbraw/zinc/99/46/48/1066994648.db2.gz ZESZXSIWNCATJD-MOPGFXCFSA-N 1 1 458.430 4.875 20 30 JJEDMO Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3nc(-c4ccccc4)ccc3C#N)CC2)cc1 ZINC001458946934 1067205320 /nfs/dbraw/zinc/20/53/20/1067205320.db2.gz VRRIEYYQFFQPEJ-UHFFFAOYSA-N 1 1 456.615 4.755 20 30 JJEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1C#N ZINC001459394850 1067312808 /nfs/dbraw/zinc/31/28/08/1067312808.db2.gz ZSHIDTDJKKBAIU-UHFFFAOYSA-N 1 1 453.590 4.993 20 30 JJEDMO CC[C@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)c1nc(C)cs1 ZINC001459727813 1067397436 /nfs/dbraw/zinc/39/74/36/1067397436.db2.gz NPMQEWINOJUDDA-DEOSSOPVSA-N 1 1 451.596 4.593 20 30 JJEDMO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC001459899738 1067479241 /nfs/dbraw/zinc/47/92/41/1067479241.db2.gz UPQZMMZJGKRFLI-SGTLLEGYSA-N 1 1 455.381 4.630 20 30 JJEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001459905199 1067482429 /nfs/dbraw/zinc/48/24/29/1067482429.db2.gz YYXUEUIZGKOPIQ-TZIWHRDSSA-N 1 1 450.652 4.670 20 30 JJEDMO CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001459905199 1067482431 /nfs/dbraw/zinc/48/24/31/1067482431.db2.gz YYXUEUIZGKOPIQ-TZIWHRDSSA-N 1 1 450.652 4.670 20 30 JJEDMO CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001459905199 1067482433 /nfs/dbraw/zinc/48/24/33/1067482433.db2.gz YYXUEUIZGKOPIQ-TZIWHRDSSA-N 1 1 450.652 4.670 20 30 JJEDMO CC(C)(C)OC(=O)NCC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC001459912487 1067487331 /nfs/dbraw/zinc/48/73/31/1067487331.db2.gz KVAQSVWBLGUNBW-UHFFFAOYSA-N 1 1 456.974 4.567 20 30 JJEDMO C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC001460016171 1067528822 /nfs/dbraw/zinc/52/88/22/1067528822.db2.gz SDSZEZTYNQYRPH-FQEVSTJZSA-N 1 1 453.892 4.527 20 30 JJEDMO C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC001460016171 1067528828 /nfs/dbraw/zinc/52/88/28/1067528828.db2.gz SDSZEZTYNQYRPH-FQEVSTJZSA-N 1 1 453.892 4.527 20 30 JJEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)C2)s1 ZINC001460073652 1067546763 /nfs/dbraw/zinc/54/67/63/1067546763.db2.gz PGDFGVHPKACCBF-FQEVSTJZSA-N 1 1 459.059 4.719 20 30 JJEDMO C=CCN(C(=O)C[N@H+]1CCC[C@@H](CO)[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460226329 1067583799 /nfs/dbraw/zinc/58/37/99/1067583799.db2.gz JFNGONWWQTZRBW-ZBFHGGJFSA-N 1 1 454.423 4.729 20 30 JJEDMO C=CCN(C(=O)C[N@@H+]1CCC[C@@H](CO)[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460226329 1067583804 /nfs/dbraw/zinc/58/38/04/1067583804.db2.gz JFNGONWWQTZRBW-ZBFHGGJFSA-N 1 1 454.423 4.729 20 30 JJEDMO C=CCN(C(=O)C[N@H+]1CCC[C@H](CO)[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460226325 1067583995 /nfs/dbraw/zinc/58/39/95/1067583995.db2.gz JFNGONWWQTZRBW-GOEBONIOSA-N 1 1 454.423 4.729 20 30 JJEDMO C=CCN(C(=O)C[N@@H+]1CCC[C@H](CO)[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460226325 1067584002 /nfs/dbraw/zinc/58/40/02/1067584002.db2.gz JFNGONWWQTZRBW-GOEBONIOSA-N 1 1 454.423 4.729 20 30 JJEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001460611853 1067671947 /nfs/dbraw/zinc/67/19/47/1067671947.db2.gz UBIDXFFSCCYHQR-VXKWHMMOSA-N 1 1 456.631 4.708 20 30 JJEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001460611853 1067671951 /nfs/dbraw/zinc/67/19/51/1067671951.db2.gz UBIDXFFSCCYHQR-VXKWHMMOSA-N 1 1 456.631 4.708 20 30 JJEDMO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC001460753709 1067716481 /nfs/dbraw/zinc/71/64/81/1067716481.db2.gz ZBBGVJLQCNBVMT-WBVHZDCISA-N 1 1 450.423 4.692 20 30 JJEDMO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC001460753709 1067716487 /nfs/dbraw/zinc/71/64/87/1067716487.db2.gz ZBBGVJLQCNBVMT-WBVHZDCISA-N 1 1 450.423 4.692 20 30 JJEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC ZINC001460978873 1067756024 /nfs/dbraw/zinc/75/60/24/1067756024.db2.gz FCCUJQXFGQLOTH-AUSIDOKSSA-N 1 1 462.512 4.537 20 30 JJEDMO CCCOc1nc2ccccc2cc1/C=C/C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001463835940 1068541748 /nfs/dbraw/zinc/54/17/48/1068541748.db2.gz GZECLOBHLHPJRU-OUKQBFOZSA-N 1 1 454.574 4.643 20 30 JJEDMO C=CCN1C(=O)CC[C@@]12CCCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)[C@H]2CC ZINC001164704549 719823264 /nfs/dbraw/zinc/82/32/64/719823264.db2.gz ZIRUDAIPKIBOFK-RXFWQSSRSA-N 1 1 467.683 4.830 20 30 JJEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CC2 ZINC001164709971 720096431 /nfs/dbraw/zinc/09/64/31/720096431.db2.gz DPLZXZFGDCCXPD-QGZVFWFLSA-N 1 1 496.389 4.707 20 30 JJEDMO Cc1c(Cl)c(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C#N ZINC001164755748 720878441 /nfs/dbraw/zinc/87/84/41/720878441.db2.gz YRPFFZMUMXFGGZ-NLFFAJNJSA-N 1 1 486.447 4.719 20 30 JJEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C[C@@H]3C2)cn1 ZINC001164763296 721143138 /nfs/dbraw/zinc/14/31/38/721143138.db2.gz FASRWQVVNIMUTC-IRLDBZIGSA-N 1 1 454.603 4.527 20 30 JJEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C[C@H]3C2)cn1 ZINC001164763300 721144773 /nfs/dbraw/zinc/14/47/73/721144773.db2.gz FASRWQVVNIMUTC-RBBKRZOGSA-N 1 1 454.603 4.527 20 30 JJEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@H]3C2)cn1 ZINC001164759747 721247004 /nfs/dbraw/zinc/24/70/04/721247004.db2.gz BIZXIOOSIDNXGK-LEWJYISDSA-N 1 1 482.966 4.510 20 30 JJEDMO N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164787601 721439578 /nfs/dbraw/zinc/43/95/78/721439578.db2.gz XUAMCFCUKWIWHA-HDICACEKSA-N 1 1 471.964 4.843 20 30 JJEDMO N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164787601 721439582 /nfs/dbraw/zinc/43/95/82/721439582.db2.gz XUAMCFCUKWIWHA-HDICACEKSA-N 1 1 471.964 4.843 20 30 JJEDMO Cc1ccc([C@@H](C#N)c2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nn2)cc1 ZINC001164793427 721490535 /nfs/dbraw/zinc/49/05/35/721490535.db2.gz SGJKOQGVYJLDFO-RUZDIDTESA-N 1 1 452.606 4.717 20 30 JJEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)[C@@H]2CCCO[C@H]12 ZINC001164805021 721592146 /nfs/dbraw/zinc/59/21/46/721592146.db2.gz JYTFYARPGQGWLE-VIZSFHNOSA-N 1 1 468.388 4.676 20 30 JJEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)[C@@H]2CCCO[C@H]12 ZINC001164805021 721592147 /nfs/dbraw/zinc/59/21/47/721592147.db2.gz JYTFYARPGQGWLE-VIZSFHNOSA-N 1 1 468.388 4.676 20 30 JJEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913072 721735654 /nfs/dbraw/zinc/73/56/54/721735654.db2.gz RZFILWRRHVLXBD-DEOSSOPVSA-N 1 1 496.949 4.927 20 30 JJEDMO N#Cc1cccc(Oc2nc(Cl)ncc2N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164911212 721735862 /nfs/dbraw/zinc/73/58/62/721735862.db2.gz IQPBETIVMNCPRT-XMMPIXPASA-N 1 1 496.949 4.927 20 30 JJEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164913073 721736303 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1066248749 /nfs/dbraw/zinc/24/87/49/1066248749.db2.gz UFUSPSDJNNFODO-DHIUTWEWSA-N 1 1 455.643 4.655 20 30 JJEDMO CC(C)(C)OCCC[NH+]1CCN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CC1 ZINC001455225110 1066373089 /nfs/dbraw/zinc/37/30/89/1066373089.db2.gz GCMANCHYNOXVDM-UHFFFAOYSA-N 1 1 455.986 4.967 20 30 JJEDMO Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1Br ZINC001361175537 1066492701 /nfs/dbraw/zinc/49/27/01/1066492701.db2.gz QNYMAUKCVFXZMJ-CEXWTWQISA-N 1 1 487.490 4.980 20 30 JJEDMO N#CCOc1cccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1 ZINC001456285744 1066555216 /nfs/dbraw/zinc/55/52/16/1066555216.db2.gz LQOXUVVZFPRIPL-IZZNHLLZSA-N 1 1 459.977 4.774 20 30 JJEDMO Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001361249824 1066594435 /nfs/dbraw/zinc/59/44/35/1066594435.db2.gz GWWZIIAUWPPXTK-KDURUIRLSA-N 1 1 478.666 4.711 20 30 JJEDMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC001447566875 1066823250 /nfs/dbraw/zinc/82/32/50/1066823250.db2.gz HNSOTZYMFPNRQE-UHFFFAOYSA-N 1 1 455.558 4.519 20 30 JJEDMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001492705314 1066864608 /nfs/dbraw/zinc/86/46/08/1066864608.db2.gz BPDYPUGGBLUCJK-UHFFFAOYSA-N 1 1 457.504 4.581 20 30 JJEDMO Cc1[nH+]ccn1CCCn1c(-c2cc(F)ccc2Br)nnc1N(CCC#N)CC1CC1 ZINC001492706951 1066869992 /nfs/dbraw/zinc/86/99/92/1066869992.db2.gz GAEIFKQPQCBPCL-UHFFFAOYSA-N 1 1 486.393 4.572 20 30 JJEDMO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC001449271989 1066994547 /nfs/dbraw/zinc/99/45/47/1066994547.db2.gz ZESZXSIWNCATJD-OALUTQOASA-N 1 1 458.430 4.875 20 30 JJEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c(Br)c1 ZINC001459667423 1067377152 /nfs/dbraw/zinc/37/71/52/1067377152.db2.gz JEEPGNCWRDARGD-UHFFFAOYSA-N 1 1 452.396 4.724 20 30 JJEDMO COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC001459669797 1067378602 /nfs/dbraw/zinc/37/86/02/1067378602.db2.gz JSYURAQBNDPQPC-AREMUKBSSA-N 1 1 459.977 4.911 20 30 JJEDMO C=CCOc1ccc(C[N@H+](CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)C(C)(C)C)cc1 ZINC001459744342 1067403409 /nfs/dbraw/zinc/40/34/09/1067403409.db2.gz AJZTUGLKVSDLSG-UHFFFAOYSA-N 1 1 456.608 4.827 20 30 JJEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1(CC)CC ZINC001459748448 1067404965 /nfs/dbraw/zinc/40/49/65/1067404965.db2.gz LNBWSLIBCKIDQD-BJKOFHAPSA-N 1 1 450.627 4.879 20 30 JJEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001459905198 1067482395 /nfs/dbraw/zinc/48/23/95/1067482395.db2.gz YYXUEUIZGKOPIQ-PZJWPPBQSA-N 1 1 450.652 4.670 20 30 JJEDMO CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001459905198 1067482398 /nfs/dbraw/zinc/48/23/98/1067482398.db2.gz YYXUEUIZGKOPIQ-PZJWPPBQSA-N 1 1 450.652 4.670 20 30 JJEDMO CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001459905198 1067482405 /nfs/dbraw/zinc/48/24/05/1067482405.db2.gz YYXUEUIZGKOPIQ-PZJWPPBQSA-N 1 1 450.652 4.670 20 30 JJEDMO CCC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H](C)CC(=O)Nc1ccccc1 ZINC001460003404 1067522788 /nfs/dbraw/zinc/52/27/88/1067522788.db2.gz PXWVDCLGICOMEU-GOSISDBHSA-N 1 1 452.624 4.956 20 30 JJEDMO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)c1cccc(Cl)c1 ZINC001460195904 1067576521 /nfs/dbraw/zinc/57/65/21/1067576521.db2.gz JBJHEJVRZRYJAZ-QFIPXVFZSA-N 1 1 454.933 4.674 20 30 JJEDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cc(F)c(Br)cc1F ZINC001460445294 1067636297 /nfs/dbraw/zinc/63/62/97/1067636297.db2.gz JJQSSXFBOROMEQ-ZJUUUORDSA-N 1 1 454.340 4.827 20 30 JJEDMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC001460727025 1067710690 /nfs/dbraw/zinc/71/06/90/1067710690.db2.gz DFSPOZPUSXSJLD-WMZHIEFXSA-N 1 1 454.615 4.785 20 30 JJEDMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H]1C ZINC001460941639 1067751525 /nfs/dbraw/zinc/75/15/25/1067751525.db2.gz SLKBJGZURWATMV-QIRMHMFVSA-N 1 1 450.579 4.944 20 30 JJEDMO Cc1c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)ccc(Br)c1C#N ZINC001461057897 1067771792 /nfs/dbraw/zinc/77/17/92/1067771792.db2.gz RJPAPTWERQLXFB-FCHUYYIVSA-N 1 1 475.390 4.879 20 30 JJEDMO C=CCOc1cccc(NS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)c1 ZINC001463390280 1068381824 /nfs/dbraw/zinc/38/18/24/1068381824.db2.gz IFQITIIUZNKEDY-IZZNHLLZSA-N 1 1 466.578 4.800 20 30 JJEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(NC(=O)Nc4ccccc4)s3)CC2)cc1 ZINC001463839554 1068543517 /nfs/dbraw/zinc/54/35/17/1068543517.db2.gz WQRPPVAQSSWURR-UHFFFAOYSA-N 1 1 459.575 4.612 20 30 JJEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(NC(=O)Nc4ccccc4)s3)CC2)cc1 ZINC001463839554 1068543520 /nfs/dbraw/zinc/54/35/20/1068543520.db2.gz WQRPPVAQSSWURR-UHFFFAOYSA-N 1 1 459.575 4.612 20 30 JJEDMO N#Cc1ccccc1COc1ccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC001464662392 1068816030 /nfs/dbraw/zinc/81/60/30/1068816030.db2.gz DWGJLCLPJDZFAA-UHFFFAOYSA-N 1 1 453.586 4.918 20 30 JJEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1F ZINC001164698462 719892915 /nfs/dbraw/zinc/89/29/15/719892915.db2.gz ULWYLKSQIYJLMR-UHFFFAOYSA-N 1 1 484.000 4.741 20 30 JJEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)CC2 ZINC001164714837 720145647 /nfs/dbraw/zinc/14/56/47/720145647.db2.gz ZSGKGQIFWXJODB-MHZLTWQESA-N 1 1 497.643 4.629 20 30 JJEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164839878 720653555 /nfs/dbraw/zinc/65/35/55/720653555.db2.gz KMARIWWRVMWQEM-NJNPRVFISA-N 1 1 466.992 4.782 20 30 JJEDMO Cc1ccc([C@H](C#N)c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164844257 720663524 /nfs/dbraw/zinc/66/35/24/720663524.db2.gz ZLKYQALIXQPMEA-UIOOFZCWSA-N 1 1 467.617 4.700 20 30 JJEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)CC2 ZINC001164841576 720715690 /nfs/dbraw/zinc/71/56/90/720715690.db2.gz UNOMYURREBYZCP-MHZLTWQESA-N 1 1 482.628 4.987 20 30 JJEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748998 720873190 /nfs/dbraw/zinc/87/31/90/720873190.db2.gz GBAWAIHTJJEQAG-VIZCGCQYSA-N 1 1 497.618 4.909 20 30 JJEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753715 720908652 /nfs/dbraw/zinc/90/86/52/720908652.db2.gz SEBIWWZOWPRZRD-DWACAAAGSA-N 1 1 488.035 4.910 20 30 JJEDMO CC1(C)CCCc2cc(C#N)c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164750772 720936112 /nfs/dbraw/zinc/93/61/12/720936112.db2.gz KMNQQHHJFJMIKS-PDDLMNHVSA-N 1 1 485.676 4.717 20 30 JJEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3c(C#N)c(Cl)nc4cccc(C)c43)C2)C1 ZINC001164780730 721376986 /nfs/dbraw/zinc/37/69/86/721376986.db2.gz IJFFRYKUFYXCNY-AREMUKBSSA-N 1 1 480.012 4.792 20 30 JJEDMO Cc1ccc([C@H](C#N)c2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nn2)cc1 ZINC001164793428 721490665 /nfs/dbraw/zinc/49/06/65/721490665.db2.gz SGJKOQGVYJLDFO-VWLOTQADSA-N 1 1 452.606 4.717 20 30 JJEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164906614 721568027 /nfs/dbraw/zinc/56/80/27/721568027.db2.gz KIEOTSMSPMRTCP-FPOVZHCZSA-N 1 1 499.924 4.695 20 30 JJEDMO Cc1ccc([C@H](C#N)c2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nn2)cc1 ZINC001164910027 721745436 /nfs/dbraw/zinc/74/54/36/721745436.db2.gz YNTDYZZZKZPJQT-SANMLTNESA-N 1 1 464.573 4.623 20 30 JJEDMO Cc1ccc([C@H](C#N)c2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nn2)cc1 ZINC001164910027 721745438 /nfs/dbraw/zinc/74/54/38/721745438.db2.gz YNTDYZZZKZPJQT-SANMLTNESA-N 1 1 464.573 4.623 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@@H]21 ZINC001165024211 721813514 /nfs/dbraw/zinc/81/35/14/721813514.db2.gz JULWGOLWWKTLRU-QATBIIFWSA-N 1 1 476.987 4.940 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@@H]21 ZINC001165029054 721825250 /nfs/dbraw/zinc/82/52/50/721825250.db2.gz WSGBAYMJDSNRBO-FQLPYIGMSA-N 1 1 467.617 4.859 20 30 JJEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cnc(Cl)nc4Oc4cccc(C#N)c4)CC3)C2)cc1 ZINC001164942719 721933053 /nfs/dbraw/zinc/93/30/53/721933053.db2.gz MQAQWDHBNMWZIM-UHFFFAOYSA-N 1 1 490.007 4.974 20 30 JJEDMO N#CC(c1nc2ccccc2nc1N1CCCC[C@@H]1CC[NH+]1CCCC1)S(=O)(=O)c1ccccc1 ZINC001165047376 721975910 /nfs/dbraw/zinc/97/59/10/721975910.db2.gz FUGXYNCZOWZBJC-PXDATVDWSA-N 1 1 489.645 4.513 20 30 JJEDMO CC[NH+](CC)C1CCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001165053083 722005291 /nfs/dbraw/zinc/00/52/91/722005291.db2.gz HTXRAECRLUPENP-HSZRJFAPSA-N 1 1 498.052 4.632 20 30 JJEDMO CC(C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001359712473 1064260994 /nfs/dbraw/zinc/26/09/94/1064260994.db2.gz UGJHWJIYQBQWTN-RPBOFIJWSA-N 1 1 478.685 4.827 20 30 JJEDMO CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359817386 1064500028 /nfs/dbraw/zinc/50/00/28/1064500028.db2.gz CGVZKMBPWDGYRE-FCHUYYIVSA-N 1 1 464.658 4.516 20 30 JJEDMO CC(C)CCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001359926287 1064658054 /nfs/dbraw/zinc/65/80/54/1064658054.db2.gz ITEHAYDDAGPGHB-LJQANCHMSA-N 1 1 452.006 4.824 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001360008249 1064796537 /nfs/dbraw/zinc/79/65/37/1064796537.db2.gz NOMYMGLSZTYYNO-MBSDFSHPSA-N 1 1 488.478 4.534 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@H](C(C)C)C2)C1 ZINC001360011750 1064806597 /nfs/dbraw/zinc/80/65/97/1064806597.db2.gz HSQVVSZHPDTRBB-NOZRDPDXSA-N 1 1 496.725 4.675 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)C(C)(C)C2)C1 ZINC001360012328 1064809133 /nfs/dbraw/zinc/80/91/33/1064809133.db2.gz POCIQACXSMGPJJ-VWNXMTODSA-N 1 1 478.685 4.969 20 30 JJEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC001435567480 1064838879 /nfs/dbraw/zinc/83/88/79/1064838879.db2.gz UVFWTIKZAMRMJD-IRXDYDNUSA-N 1 1 450.073 4.960 20 30 JJEDMO N#Cc1ccccc1/C=C/C(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001435633972 1064895772 /nfs/dbraw/zinc/89/57/72/1064895772.db2.gz XNZKVVTWQCYTNR-FOCLMDBBSA-N 1 1 451.570 4.522 20 30 JJEDMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCC(C#N)CC2)C1 ZINC001360139831 1065036280 /nfs/dbraw/zinc/03/62/80/1065036280.db2.gz VACCGFKJMXTSJY-IBGZPJMESA-N 1 1 471.447 4.568 20 30 JJEDMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC001436428954 1065317417 /nfs/dbraw/zinc/31/74/17/1065317417.db2.gz BTBMSVMKQUZGKX-SANMLTNESA-N 1 1 455.606 4.549 20 30 JJEDMO C[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1)[N@@H+](C)C1CC1 ZINC001360540944 1065526974 /nfs/dbraw/zinc/52/69/74/1065526974.db2.gz JWHYKLLBECYJGC-OYHNWAKOSA-N 1 1 491.865 4.974 20 30 JJEDMO C[C@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)[N@@H+](C)C1CC1 ZINC001360586403 1065587396 /nfs/dbraw/zinc/58/73/96/1065587396.db2.gz DNXJBMLVDYDMKU-QGZVFWFLSA-N 1 1 459.063 4.837 20 30 JJEDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC001360697888 1065739370 /nfs/dbraw/zinc/73/93/70/1065739370.db2.gz RATCONPGIJPULB-NRFANRHFSA-N 1 1 456.615 4.650 20 30 JJEDMO N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C(F)(F)F)c2)cc1 ZINC001439273074 1065808779 /nfs/dbraw/zinc/80/87/79/1065808779.db2.gz NVPYIFZACCSFGA-JWQCQUIFSA-N 1 1 479.502 4.930 20 30 JJEDMO N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C(F)(F)F)c2)cc1 ZINC001439273074 1065808796 /nfs/dbraw/zinc/80/87/96/1065808796.db2.gz NVPYIFZACCSFGA-JWQCQUIFSA-N 1 1 479.502 4.930 20 30 JJEDMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001360758656 1065825562 /nfs/dbraw/zinc/82/55/62/1065825562.db2.gz UNRVYOGLULKAJW-AXHZCLLHSA-N 1 1 457.022 4.686 20 30 JJEDMO C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001440736695 1065973152 /nfs/dbraw/zinc/97/31/52/1065973152.db2.gz FAZXHNRFFIGVLB-HSZRJFAPSA-N 1 1 453.586 4.651 20 30 JJEDMO C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001440736695 1065973160 /nfs/dbraw/zinc/97/31/60/1065973160.db2.gz FAZXHNRFFIGVLB-HSZRJFAPSA-N 1 1 453.586 4.651 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1C ZINC001360875871 1066020064 /nfs/dbraw/zinc/02/00/64/1066020064.db2.gz ZZRBGLQNMZGUON-GKAFBRTNSA-N 1 1 494.684 4.522 20 30 JJEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)C[C@H](C)O1 ZINC001441330211 1066029550 /nfs/dbraw/zinc/02/95/50/1066029550.db2.gz ZKNMBXSFHGRWRU-OYRHEFFESA-N 1 1 455.558 4.890 20 30 JJEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001441644959 1066057241 /nfs/dbraw/zinc/05/72/41/1066057241.db2.gz REHNTGSSEATESE-UHFFFAOYSA-N 1 1 450.583 4.644 20 30 JJEDMO Cc1ccsc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001360926232 1066082626 /nfs/dbraw/zinc/08/26/26/1066082626.db2.gz IZSKFYMRRSKPJF-UHFFFAOYSA-N 1 1 492.693 4.898 20 30 JJEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001360964747 1066124049 /nfs/dbraw/zinc/12/40/49/1066124049.db2.gz YTDCQGHTKXEMIY-KDYSTLNUSA-N 1 1 455.558 4.678 20 30 JJEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001360964747 1066124052 /nfs/dbraw/zinc/12/40/52/1066124052.db2.gz YTDCQGHTKXEMIY-KDYSTLNUSA-N 1 1 455.558 4.678 20 30 JJEDMO Cc1[nH+]ccn1CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H](C)CC#N ZINC001360987064 1066156593 /nfs/dbraw/zinc/15/65/93/1066156593.db2.gz ROAWXAOLYWRAHM-QZTJIDSGSA-N 1 1 455.994 4.632 20 30 JJEDMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@H+](C)C2CCCCC2)c1 ZINC001361032118 1066244951 /nfs/dbraw/zinc/24/49/51/1066244951.db2.gz LUDJETJROGKCQI-MHZLTWQESA-N 1 1 464.658 4.869 20 30 JJEDMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001361032168 1066245643 /nfs/dbraw/zinc/24/56/43/1066245643.db2.gz MOWWANIQIVGHKB-KCWPFWIISA-N 1 1 464.658 4.724 20 30 JJEDMO Cc1[nH+]ccn1CCn1c(-c2cc(C)nc3ccccc32)nnc1N(CCC#N)CCC(C)C ZINC001361048385 1066277122 /nfs/dbraw/zinc/27/71/22/1066277122.db2.gz AVKNUYUTPIJIGD-UHFFFAOYSA-N 1 1 456.598 4.773 20 30 JJEDMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001361088277 1066330020 /nfs/dbraw/zinc/33/00/20/1066330020.db2.gz HEOIOTFLEISAPX-RXFWQSSRSA-N 1 1 485.076 4.864 20 30 JJEDMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001361128135 1066390970 /nfs/dbraw/zinc/39/09/70/1066390970.db2.gz SUXVQESHFAMTQM-AMGIVPHBSA-N 1 1 464.658 4.903 20 30 JJEDMO Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1Br ZINC001361205390 1066536706 /nfs/dbraw/zinc/53/67/06/1066536706.db2.gz IIKUATMOAGNAGG-WZONZLPQSA-N 1 1 489.437 4.578 20 30 JJEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@@H](C)C1 ZINC001456301529 1066558599 /nfs/dbraw/zinc/55/85/99/1066558599.db2.gz MKKHEMSYRVTRFI-AVRDEDQJSA-N 1 1 455.986 4.871 20 30 JJEDMO Cc1csc(CCCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC001492644626 1066742743 /nfs/dbraw/zinc/74/27/43/1066742743.db2.gz USRQLEKHOHDCTA-UHFFFAOYSA-N 1 1 477.682 4.915 20 30 JJEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccccc3I)CC2)c(Cl)c1 ZINC001459626901 1067367684 /nfs/dbraw/zinc/36/76/84/1067367684.db2.gz ILNPFJNACUWVPW-UHFFFAOYSA-N 1 1 452.723 4.860 20 30 JJEDMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001459668159 1067377431 /nfs/dbraw/zinc/37/74/31/1067377431.db2.gz HGSZVVCMVUBUHP-SFHVURJKSA-N 1 1 457.521 4.662 20 30 JJEDMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001459668159 1067377442 /nfs/dbraw/zinc/37/74/42/1067377442.db2.gz HGSZVVCMVUBUHP-SFHVURJKSA-N 1 1 457.521 4.662 20 30 JJEDMO COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC001459669799 1067378622 /nfs/dbraw/zinc/37/86/22/1067378622.db2.gz JSYURAQBNDPQPC-SANMLTNESA-N 1 1 459.977 4.911 20 30 JJEDMO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC001459716134 1067393650 /nfs/dbraw/zinc/39/36/50/1067393650.db2.gz KBDQUPLXWDSSAH-PGRDOPGGSA-N 1 1 451.567 4.544 20 30 JJEDMO C=CCOc1ccc(C[N@H+](CC(=O)NCC(=O)Nc2cccc(Cl)c2C)C(C)(C)C)cc1 ZINC001459745439 1067403977 /nfs/dbraw/zinc/40/39/77/1067403977.db2.gz FIFRIQOUBLLGER-UHFFFAOYSA-N 1 1 458.002 4.569 20 30 JJEDMO COc1ccccc1COC1CC[NH+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC001459773242 1067416007 /nfs/dbraw/zinc/41/60/07/1067416007.db2.gz GCEZIQZQLYFNRS-UHFFFAOYSA-N 1 1 455.986 4.585 20 30 JJEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1C#N ZINC001459821578 1067438663 /nfs/dbraw/zinc/43/86/63/1067438663.db2.gz WEMUCAAJODTLKM-UHFFFAOYSA-N 1 1 455.537 4.639 20 30 JJEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1C#N ZINC001459821578 1067438672 /nfs/dbraw/zinc/43/86/72/1067438672.db2.gz WEMUCAAJODTLKM-UHFFFAOYSA-N 1 1 455.537 4.639 20 30 JJEDMO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1 ZINC001459838409 1067447606 /nfs/dbraw/zinc/44/76/06/1067447606.db2.gz XWUUJMLXXOLICV-DNVCBOLYSA-N 1 1 451.514 4.873 20 30 JJEDMO Cc1ccc(S(=O)(=O)NC[C@H]([NH2+]CC#Cc2ccccc2Cl)c2ccccc2)c(C)c1 ZINC001459847166 1067452518 /nfs/dbraw/zinc/45/25/18/1067452518.db2.gz BEYJCBNHLCXMOF-DEOSSOPVSA-N 1 1 453.007 4.618 20 30 JJEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC001459950058 1067504000 /nfs/dbraw/zinc/50/40/00/1067504000.db2.gz HBKRWMUILHTOTR-MRXNPFEDSA-N 1 1 451.514 4.906 20 30 JJEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC001459950058 1067504006 /nfs/dbraw/zinc/50/40/06/1067504006.db2.gz HBKRWMUILHTOTR-MRXNPFEDSA-N 1 1 451.514 4.906 20 30 JJEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1C)c1ccc(F)c(F)c1 ZINC001459981297 1067514770 /nfs/dbraw/zinc/51/47/70/1067514770.db2.gz XRQDKQJNRLIORK-IBGZPJMESA-N 1 1 456.274 4.723 20 30 JJEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c1C#N ZINC001459997844 1067520221 /nfs/dbraw/zinc/52/02/21/1067520221.db2.gz YIVVAIVQLMRPQY-HXUWFJFHSA-N 1 1 453.656 4.861 20 30 JJEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001460015260 1067528356 /nfs/dbraw/zinc/52/83/56/1067528356.db2.gz IVEOKMQUYZEZBW-FCHUYYIVSA-N 1 1 456.631 4.565 20 30 JJEDMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001460146653 1067564647 /nfs/dbraw/zinc/56/46/47/1067564647.db2.gz UWYASFLYDQYCLE-DEOSSOPVSA-N 1 1 453.030 4.815 20 30 JJEDMO C[C@H]([NH2+][C@@H](C)c1cc(F)c(Br)cc1F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001460445284 1067636358 /nfs/dbraw/zinc/63/63/58/1067636358.db2.gz JJQSSXFBOROMEQ-UWVGGRQHSA-N 1 1 454.340 4.827 20 30 JJEDMO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC001460753705 1067716613 /nfs/dbraw/zinc/71/66/13/1067716613.db2.gz ZBBGVJLQCNBVMT-DOTOQJQBSA-N 1 1 450.423 4.692 20 30 JJEDMO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC001460753705 1067716618 /nfs/dbraw/zinc/71/66/18/1067716618.db2.gz ZBBGVJLQCNBVMT-DOTOQJQBSA-N 1 1 450.423 4.692 20 30 JJEDMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H]1C ZINC001460941645 1067751554 /nfs/dbraw/zinc/75/15/54/1067751554.db2.gz SLKBJGZURWATMV-WWMMDOJLSA-N 1 1 450.579 4.944 20 30 JJEDMO Cn1cc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC001462334632 1068052879 /nfs/dbraw/zinc/05/28/79/1068052879.db2.gz CNCPGEYLUIYNBC-BJKOFHAPSA-N 1 1 475.568 4.591 20 30 JJEDMO C[N@H+](CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C#N)Cc1ccccc1 ZINC001463204784 1068319590 /nfs/dbraw/zinc/31/95/90/1068319590.db2.gz AXJFTXKIAITHNE-UHFFFAOYSA-N 1 1 453.995 4.535 20 30 JJEDMO C[N@@H+](CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C#N)Cc1ccccc1 ZINC001463204784 1068319607 /nfs/dbraw/zinc/31/96/07/1068319607.db2.gz AXJFTXKIAITHNE-UHFFFAOYSA-N 1 1 453.995 4.535 20 30 JJEDMO C=CC1(CC(=O)N(CCC)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CN(C(=O)OC(C)(C)C)C1 ZINC001464671974 1068819498 /nfs/dbraw/zinc/81/94/98/1068819498.db2.gz CVKGHFYCTAOHPJ-HSZRJFAPSA-N 1 1 455.643 4.703 20 30 JJEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc([C@H](C#N)c4ccc(C)cc4)nn2)CC3)cs1 ZINC001164693312 719804600 /nfs/dbraw/zinc/80/46/00/719804600.db2.gz RXWJAKMQWSVAKH-HSZRJFAPSA-N 1 1 458.635 4.840 20 30 JJEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CC2 ZINC001164714047 720159278 /nfs/dbraw/zinc/15/92/78/720159278.db2.gz NSVKNKFLCIIUCA-SFHVURJKSA-N 1 1 497.977 4.941 20 30 JJEDMO Cc1nc(C#Cc2ccnc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2)c(C)n1-c1ccc(F)cc1 ZINC001164722598 720383126 /nfs/dbraw/zinc/38/31/26/720383126.db2.gz DPDBYUKMRCPSIA-VMPREFPWSA-N 1 1 492.602 4.671 20 30 JJEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164843273 720651973 /nfs/dbraw/zinc/65/19/73/720651973.db2.gz VTVNZENOCHNTGF-LLGFUMIMSA-N 1 1 469.420 4.988 20 30 JJEDMO Cc1c(Cl)c(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C#N ZINC001164755747 720878833 /nfs/dbraw/zinc/87/88/33/720878833.db2.gz YRPFFZMUMXFGGZ-NBGIEHNGSA-N 1 1 486.447 4.719 20 30 JJEDMO CCCc1cc(C#N)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1Cl ZINC001164749597 720894302 /nfs/dbraw/zinc/89/43/02/720894302.db2.gz AIEBTXBQDUKDBV-SQHAQQRYSA-N 1 1 480.056 4.709 20 30 JJEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164870581 721195847 /nfs/dbraw/zinc/19/58/47/721195847.db2.gz VUOCAAQZZCMMJO-DHIUTWEWSA-N 1 1 495.961 4.693 20 30 JJEDMO N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)cnc2Cl)cc1 ZINC001164782565 721439602 /nfs/dbraw/zinc/43/96/02/721439602.db2.gz KESJYQNYZWRRSO-ROUUACIJSA-N 1 1 471.964 4.843 20 30 JJEDMO C=CCOCc1nn(C)c2c1CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164784218 721447010 /nfs/dbraw/zinc/44/70/10/721447010.db2.gz PFGKYJIAMUYCSU-UHFFFAOYSA-N 1 1 492.693 4.555 20 30 JJEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(C#N)c(Cl)nc3cccc(C)c31)CC2 ZINC001164791698 721474409 /nfs/dbraw/zinc/47/44/09/721474409.db2.gz XRFJMOOKXLTPHR-NRFANRHFSA-N 1 1 483.056 4.802 20 30 JJEDMO CSc1nc(-c2ccccc2)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164908100 721712224 /nfs/dbraw/zinc/71/22/24/721712224.db2.gz VOCBGNSDDOIJFB-VWLOTQADSA-N 1 1 492.599 4.870 20 30 JJEDMO Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C#C[Si](C)(C)C)c1 ZINC001164908088 721717122 /nfs/dbraw/zinc/71/71/22/721717122.db2.gz VNZSDTTYLQZGIT-DEOSSOPVSA-N 1 1 454.641 4.752 20 30 JJEDMO N#CCc1ccc(OCc2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2)cc1 ZINC001164909139 721725110 /nfs/dbraw/zinc/72/51/10/721725110.db2.gz CGYDXAQDJMAMEM-HHHXNRCGSA-N 1 1 489.570 4.859 20 30 JJEDMO N#Cc1ccc(-c2cccs2)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164909862 721725696 /nfs/dbraw/zinc/72/56/96/721725696.db2.gz DZPNXBWBSOYTFR-HSZRJFAPSA-N 1 1 451.546 4.814 20 30 JJEDMO Cc1ccc([C@H](C#N)c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)cc1 ZINC001165026592 721802486 /nfs/dbraw/zinc/80/24/86/721802486.db2.gz RJBHIQOKUPGPKS-ZFOJSEFRSA-N 1 1 452.606 4.572 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@@H]21 ZINC001165027051 721830471 /nfs/dbraw/zinc/83/04/71/721830471.db2.gz RJQNFORNZLSLFQ-BAGYTPMASA-N 1 1 474.996 4.926 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)C[C@@H]21 ZINC001165023188 721830616 /nfs/dbraw/zinc/83/06/16/721830616.db2.gz IGTRGCNVQDNBMX-AJSBUHFISA-N 1 1 474.996 4.926 20 30 JJEDMO N#CC(c1nc2ccccc2nc1N1CCCC[C@H]1CC[NH+]1CCCC1)S(=O)(=O)c1ccccc1 ZINC001165047377 721975708 /nfs/dbraw/zinc/97/57/08/721975708.db2.gz FUGXYNCZOWZBJC-SQJMNOBHSA-N 1 1 489.645 4.513 20 30 JJEDMO CC[NH+](CC)C1CCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC001165053737 722005646 /nfs/dbraw/zinc/00/56/46/722005646.db2.gz UOBFIUNWBCIFTE-RUZDIDTESA-N 1 1 491.661 4.596 20 30 JJEDMO C=CCOC[C@H]1CCC[C@@]12CN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)CCO2 ZINC001164976132 722168976 /nfs/dbraw/zinc/16/89/76/722168976.db2.gz JTWBBWYLRLKKHP-QFQXNSOFSA-N 1 1 470.683 4.872 20 30 JJEDMO C=CCOC[C@@H]1CCC[C@]12CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CCO2 ZINC001164980409 722169159 /nfs/dbraw/zinc/16/91/59/722169159.db2.gz XWMLIWNGXDCSRS-DCFHFQCYSA-N 1 1 482.694 4.744 20 30 JJEDMO COc1cc(C(F)(F)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(C#N)c(Cl)n1 ZINC001164993809 722203682 /nfs/dbraw/zinc/20/36/82/722203682.db2.gz BTVOXOSGLLHLMN-OAQYLSRUSA-N 1 1 450.892 4.544 20 30 JJEDMO COc1cc(C(F)(F)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(C#N)c(Cl)n1 ZINC001164993809 722203687 /nfs/dbraw/zinc/20/36/87/722203687.db2.gz BTVOXOSGLLHLMN-OAQYLSRUSA-N 1 1 450.892 4.544 20 30 JJEDMO CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001359817847 1064500765 /nfs/dbraw/zinc/50/07/65/1064500765.db2.gz MFLAJGAGWZZFAV-UHFFFAOYSA-N 1 1 464.658 4.518 20 30 JJEDMO CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001359926530 1064659360 /nfs/dbraw/zinc/65/93/60/1064659360.db2.gz RHXPNZVRWMSJNQ-XMMPIXPASA-N 1 1 466.674 4.633 20 30 JJEDMO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001359952389 1064715202 /nfs/dbraw/zinc/71/52/02/1064715202.db2.gz UVFZGMDAJFBBKX-NDEPHWFRSA-N 1 1 494.684 4.611 20 30 JJEDMO CC(C)CCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001359952389 1064715217 /nfs/dbraw/zinc/71/52/17/1064715217.db2.gz UVFZGMDAJFBBKX-NDEPHWFRSA-N 1 1 494.684 4.611 20 30 JJEDMO CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1)C(C)C ZINC001359992779 1064775034 /nfs/dbraw/zinc/77/50/34/1064775034.db2.gz CIIBDEMKXJRKCJ-VXKWHMMOSA-N 1 1 452.647 4.720 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001360008102 1064795934 /nfs/dbraw/zinc/79/59/34/1064795934.db2.gz KTKPXJUKGWTHRN-ZWKOTPCHSA-N 1 1 491.453 4.953 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnc(C(C)C)nc2)C1 ZINC001360008078 1064796122 /nfs/dbraw/zinc/79/61/22/1064796122.db2.gz KKYVIDHMRPITRI-QHCPKHFHSA-N 1 1 486.668 4.735 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C)C(C)(C)C2)C1 ZINC001360012326 1064809243 /nfs/dbraw/zinc/80/92/43/1064809243.db2.gz POCIQACXSMGPJJ-LADGPHEKSA-N 1 1 478.685 4.969 20 30 JJEDMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001360097890 1064976224 /nfs/dbraw/zinc/97/62/24/1064976224.db2.gz TXKZCZMKKMRSEK-UHFFFAOYSA-N 1 1 476.650 4.708 20 30 JJEDMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N(CCC#N)CC2CC2)C1 ZINC001360138838 1065034971 /nfs/dbraw/zinc/03/49/71/1065034971.db2.gz KSSNMEKBSSAYER-FQEVSTJZSA-N 1 1 485.474 4.958 20 30 JJEDMO CC(C)[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001360427673 1065298139 /nfs/dbraw/zinc/29/81/39/1065298139.db2.gz OMNHRZBUCRMWDG-BJKOFHAPSA-N 1 1 450.631 4.502 20 30 JJEDMO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001360470137 1065386938 /nfs/dbraw/zinc/38/69/38/1065386938.db2.gz LXCXSMNBCSUXQG-KRWDZBQOSA-N 1 1 459.436 4.568 20 30 JJEDMO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360470703 1065389605 /nfs/dbraw/zinc/38/96/05/1065389605.db2.gz UDVBKOJYNLLNBP-RDPSFJRHSA-N 1 1 476.625 4.976 20 30 JJEDMO C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001360478715 1065395971 /nfs/dbraw/zinc/39/59/71/1065395971.db2.gz MSBMPROEMYXWID-XUZZJYLKSA-N 1 1 462.667 4.971 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001360480648 1065399137 /nfs/dbraw/zinc/39/91/37/1065399137.db2.gz DRWQORYKHLNQMB-IMWIBFENSA-N 1 1 482.629 4.879 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001360480650 1065399748 /nfs/dbraw/zinc/39/97/48/1065399748.db2.gz DRWQORYKHLNQMB-YDIMBITNSA-N 1 1 482.629 4.879 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001360481224 1065400739 /nfs/dbraw/zinc/40/07/39/1065400739.db2.gz MXUGTVKPPUDJRE-CVEARBPZSA-N 1 1 474.396 4.676 20 30 JJEDMO C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(Br)cs1)[N@@H+](C)C1CC1 ZINC001360541759 1065529601 /nfs/dbraw/zinc/52/96/01/1065529601.db2.gz NPOFDBCYLWNHNU-HNNXBMFYSA-N 1 1 485.455 4.760 20 30 JJEDMO C[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)[N@@H+](C)C1CC1 ZINC001360586402 1065587144 /nfs/dbraw/zinc/58/71/44/1065587144.db2.gz DNXJBMLVDYDMKU-KRWDZBQOSA-N 1 1 459.063 4.837 20 30 JJEDMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001360758660 1065825736 /nfs/dbraw/zinc/82/57/36/1065825736.db2.gz UNRVYOGLULKAJW-JXQFQVJHSA-N 1 1 457.022 4.686 20 30 JJEDMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001360758658 1065825890 /nfs/dbraw/zinc/82/58/90/1065825890.db2.gz UNRVYOGLULKAJW-IMWIBFENSA-N 1 1 457.022 4.686 20 30 JJEDMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(C#N)o2)CC1 ZINC001360770549 1065866764 /nfs/dbraw/zinc/86/67/64/1065866764.db2.gz YZJGYKYPOYNXQA-LJQANCHMSA-N 1 1 480.588 4.627 20 30 JJEDMO C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[N@@H+]2CC=CCC2)C1 ZINC001360788078 1065902033 /nfs/dbraw/zinc/90/20/33/1065902033.db2.gz KQQIHZLPWYULND-QHCPKHFHSA-N 1 1 475.424 4.556 20 30 JJEDMO CC1(C)CCC[N@@H+](CCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001360808255 1065920827 /nfs/dbraw/zinc/92/08/27/1065920827.db2.gz IJKXUVWEVHXRGC-JOCHJYFZSA-N 1 1 465.404 4.816 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1C ZINC001360873590 1066009730 /nfs/dbraw/zinc/00/97/30/1066009730.db2.gz GPXLRNKSAKTXSE-SAYMBASOSA-N 1 1 494.684 4.666 20 30 JJEDMO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC001361018259 1066208097 /nfs/dbraw/zinc/20/80/97/1066208097.db2.gz KGKHWSCTFGLLIC-VWNXMTODSA-N 1 1 464.658 4.867 20 30 JJEDMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361123317 1066373292 /nfs/dbraw/zinc/37/32/92/1066373292.db2.gz XISUXDCHKRQUJX-FGZHOGPDSA-N 1 1 452.647 4.759 20 30 JJEDMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC[N@H+]2CCC[C@H](C)C2)c1 ZINC001361123318 1066373530 /nfs/dbraw/zinc/37/35/30/1066373530.db2.gz XISUXDCHKRQUJX-VXKWHMMOSA-N 1 1 452.647 4.759 20 30 JJEDMO Cc1[nH+]ccn1CCCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC(C#N)CC1 ZINC001361126488 1066384779 /nfs/dbraw/zinc/38/47/79/1066384779.db2.gz SPXROIQJEQXLPX-UHFFFAOYSA-N 1 1 461.614 4.624 20 30 JJEDMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361130285 1066395094 /nfs/dbraw/zinc/39/50/94/1066395094.db2.gz LJSJCRJNJMGUKA-XZOQPEGZSA-N 1 1 494.684 4.528 20 30 JJEDMO Cc1ccc(C)c(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2Cc2ccc(C#N)o2)c1 ZINC001361155186 1066453100 /nfs/dbraw/zinc/45/31/00/1066453100.db2.gz OHZCVALPHGZKBS-UHFFFAOYSA-N 1 1 476.625 4.544 20 30 JJEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC001444417754 1066460783 /nfs/dbraw/zinc/46/07/83/1066460783.db2.gz BCBYJMADZNTTNY-UHFFFAOYSA-N 1 1 455.514 4.885 20 30 JJEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC001444417754 1066460787 /nfs/dbraw/zinc/46/07/87/1066460787.db2.gz BCBYJMADZNTTNY-UHFFFAOYSA-N 1 1 455.514 4.885 20 30 JJEDMO Cc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC[N@H+]2CCCC(C)(C)C2)cc1Br ZINC001361171823 1066488000 /nfs/dbraw/zinc/48/80/00/1066488000.db2.gz WRRIMVCMHZQEDF-SFHVURJKSA-N 1 1 473.463 4.876 20 30 JJEDMO Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1Br ZINC001361205386 1066536549 /nfs/dbraw/zinc/53/65/49/1066536549.db2.gz IIKUATMOAGNAGG-FDDCHVKYSA-N 1 1 489.437 4.578 20 30 JJEDMO Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1Br ZINC001361205566 1066536745 /nfs/dbraw/zinc/53/67/45/1066536745.db2.gz LUXSQHWQDYUHFF-AUSIDOKSSA-N 1 1 489.437 4.578 20 30 JJEDMO C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)[C@H]1c1ccc(F)cc1 ZINC001446196847 1066674267 /nfs/dbraw/zinc/67/42/67/1066674267.db2.gz RAORRTSOVUTFSK-FYYLOGMGSA-N 1 1 454.977 4.519 20 30 JJEDMO C[N@H+]1CC[C@@H](NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)[C@H]1c1ccc(F)cc1 ZINC001446196847 1066674273 /nfs/dbraw/zinc/67/42/73/1066674273.db2.gz RAORRTSOVUTFSK-FYYLOGMGSA-N 1 1 454.977 4.519 20 30 JJEDMO CC[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457538811 1066854938 /nfs/dbraw/zinc/85/49/38/1066854938.db2.gz IPDSIOYEWJDNAW-SXOMAYOGSA-N 1 1 455.558 4.760 20 30 JJEDMO CC[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457538811 1066854950 /nfs/dbraw/zinc/85/49/50/1066854950.db2.gz IPDSIOYEWJDNAW-SXOMAYOGSA-N 1 1 455.558 4.760 20 30 JJEDMO Cc1[nH+]ccn1CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 ZINC001492705500 1066865558 /nfs/dbraw/zinc/86/55/58/1066865558.db2.gz HWBMNLCOIPJGHD-LJQANCHMSA-N 1 1 465.577 4.673 20 30 JJEDMO Cc1nc(C[NH+]2CCC(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@H](C)C#N)CC2)cs1 ZINC001451967622 1067201257 /nfs/dbraw/zinc/20/12/57/1067201257.db2.gz DIMKYRGKQDPBMN-OAHLLOKOSA-N 1 1 450.530 4.623 20 30 JJEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001459538556 1067347645 /nfs/dbraw/zinc/34/76/45/1067347645.db2.gz GJHOWQJFGCDVNJ-HUVFLSCGSA-N 1 1 452.574 4.569 20 30 JJEDMO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@H+]1Cc1ccccc1 ZINC001459606846 1067361598 /nfs/dbraw/zinc/36/15/98/1067361598.db2.gz WLYQJOCGQHIGPJ-CTNGQTDRSA-N 1 1 450.652 4.812 20 30 JJEDMO C[C@H]1C[C@@H](N(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@H+]1Cc1ccccc1 ZINC001459606848 1067361900 /nfs/dbraw/zinc/36/19/00/1067361900.db2.gz WLYQJOCGQHIGPJ-FPOVZHCZSA-N 1 1 450.652 4.812 20 30 JJEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)c1C#N ZINC001459626562 1067367264 /nfs/dbraw/zinc/36/72/64/1067367264.db2.gz AEDHRXQRDAHJFJ-UHFFFAOYSA-N 1 1 459.635 4.513 20 30 JJEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C)c1C#N ZINC001459626562 1067367277 /nfs/dbraw/zinc/36/72/77/1067367277.db2.gz AEDHRXQRDAHJFJ-UHFFFAOYSA-N 1 1 459.635 4.513 20 30 JJEDMO C=CCN(C(=O)C[N@H+]1CC[C@@H](COCC)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459641702 1067370855 /nfs/dbraw/zinc/37/08/55/1067370855.db2.gz YSAGQJOPFSGBLL-OAHLLOKOSA-N 1 1 454.423 4.994 20 30 JJEDMO C=CCN(C(=O)C[N@@H+]1CC[C@@H](COCC)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459641702 1067370864 /nfs/dbraw/zinc/37/08/64/1067370864.db2.gz YSAGQJOPFSGBLL-OAHLLOKOSA-N 1 1 454.423 4.994 20 30 JJEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1(CC)CC ZINC001459748462 1067404927 /nfs/dbraw/zinc/40/49/27/1067404927.db2.gz LNBWSLIBCKIDQD-DNQXCXABSA-N 1 1 450.627 4.879 20 30 JJEDMO Cc1ccc(S(=O)(=O)NC[C@@H]([NH2+]CC#Cc2ccccc2Cl)c2ccccc2)c(C)c1 ZINC001459847167 1067452424 /nfs/dbraw/zinc/45/24/24/1067452424.db2.gz BEYJCBNHLCXMOF-XMMPIXPASA-N 1 1 453.007 4.618 20 30 JJEDMO C=CCN(C(=O)C[N@@H+](C)CC1CCOCC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459890775 1067475301 /nfs/dbraw/zinc/47/53/01/1067475301.db2.gz DUTXRSVJCIAQHF-UHFFFAOYSA-N 1 1 454.423 4.994 20 30 JJEDMO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCOc2ccc(F)c(Cl)c2)CC1 ZINC001459896248 1067478248 /nfs/dbraw/zinc/47/82/48/1067478248.db2.gz MLWOFUHOBPEMSD-HXUWFJFHSA-N 1 1 452.755 4.503 20 30 JJEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CCCC1(C)C ZINC001460030818 1067534008 /nfs/dbraw/zinc/53/40/08/1067534008.db2.gz PYNROZHYNGUNOL-QHCPKHFHSA-N 1 1 455.624 4.517 20 30 JJEDMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC001460211585 1067580316 /nfs/dbraw/zinc/58/03/16/1067580316.db2.gz GWSVEIGHUVTDQE-NHCUHLMSSA-N 1 1 451.571 4.610 20 30 JJEDMO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC001460211588 1067580330 /nfs/dbraw/zinc/58/03/30/1067580330.db2.gz GWSVEIGHUVTDQE-RTWAWAEBSA-N 1 1 451.571 4.610 20 30 JJEDMO C=CCN(C(=O)C[N@H+]1CCC[C@H](CO)[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460226322 1067583860 /nfs/dbraw/zinc/58/38/60/1067583860.db2.gz JFNGONWWQTZRBW-GDBMZVCRSA-N 1 1 454.423 4.729 20 30 JJEDMO C=CCN(C(=O)C[N@@H+]1CCC[C@H](CO)[C@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460226322 1067583869 /nfs/dbraw/zinc/58/38/69/1067583869.db2.gz JFNGONWWQTZRBW-GDBMZVCRSA-N 1 1 454.423 4.729 20 30 JJEDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC001460254357 1067591873 /nfs/dbraw/zinc/59/18/73/1067591873.db2.gz FGVYKVUQQDHBDX-CVDCTZTESA-N 1 1 450.579 4.946 20 30 JJEDMO COc1cc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC001460254347 1067591948 /nfs/dbraw/zinc/59/19/48/1067591948.db2.gz FGVYKVUQQDHBDX-AUSIDOKSSA-N 1 1 450.579 4.946 20 30 JJEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCCC[C@@H]3Cc3cccc(Br)c3)C2=O)cc1 ZINC001460280464 1067597096 /nfs/dbraw/zinc/59/70/96/1067597096.db2.gz SLXLNEPBHGMPQE-PKTZIBPZSA-N 1 1 452.396 4.913 20 30 JJEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCCC[C@@H]3Cc3cccc(Br)c3)C2=O)cc1 ZINC001460280464 1067597105 /nfs/dbraw/zinc/59/71/05/1067597105.db2.gz SLXLNEPBHGMPQE-PKTZIBPZSA-N 1 1 452.396 4.913 20 30 JJEDMO C[C@@H]([NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001460449148 1067636687 /nfs/dbraw/zinc/63/66/87/1067636687.db2.gz BHCDKKYKWNLQON-YXKFXFPPSA-N 1 1 463.525 4.740 20 30 JJEDMO N#Cc1cccc(C[NH+]2CCC(NCc3cc(OC(F)F)ccc3Br)CC2)c1 ZINC001461607777 1067900839 /nfs/dbraw/zinc/90/08/39/1067900839.db2.gz UJHMPGZHZCAGKT-UHFFFAOYSA-N 1 1 450.327 4.676 20 30 JJEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001463346588 1068366197 /nfs/dbraw/zinc/36/61/97/1068366197.db2.gz BNNPSPHLHDTWOW-UTKZUKDTSA-N 1 1 453.633 4.660 20 30 JJEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464475850 1068759953 /nfs/dbraw/zinc/75/99/53/1068759953.db2.gz SBCRTRZXHOEZJY-HSZRJFAPSA-N 1 1 453.533 4.597 20 30 JJEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc(-c3ccc(C#N)cc3)nnc1Cl)CC2 ZINC001164654940 719317961 /nfs/dbraw/zinc/31/79/61/719317961.db2.gz TZFOTONMQMVEAL-UHFFFAOYSA-N 1 1 485.970 4.615 20 30 JJEDMO N#CCc1ccc(OCc2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc2)cc1 ZINC001164707055 719898356 /nfs/dbraw/zinc/89/83/56/719898356.db2.gz MSQLYEABSAORRS-UHFFFAOYSA-N 1 1 474.630 4.660 20 30 JJEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C#N)c3cc(Cl)ccc3n1)CC2 ZINC001164712514 720153342 /nfs/dbraw/zinc/15/33/42/720153342.db2.gz NBIVLMTWTPCHDU-QFIPXVFZSA-N 1 1 461.997 4.662 20 30 JJEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccc(C)cc3c(Cl)c1C#N)CC2 ZINC001164715073 720158823 /nfs/dbraw/zinc/15/88/23/720158823.db2.gz SKMBKJRHPAYRJE-OAQYLSRUSA-N 1 1 476.024 4.971 20 30 JJEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839814 720653731 /nfs/dbraw/zinc/65/37/31/720653731.db2.gz KHNQGNBLLCYPJI-PONJGIIJSA-N 1 1 470.955 4.612 20 30 JJEDMO Cc1ccc([C@@H](C#N)c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164844254 720664007 /nfs/dbraw/zinc/66/40/07/720664007.db2.gz ZLKYQALIXQPMEA-CLJLJLNGSA-N 1 1 467.617 4.700 20 30 JJEDMO N#Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2cc(-c3ccccc3)sc21 ZINC001164740177 720831326 /nfs/dbraw/zinc/83/13/26/720831326.db2.gz JKQOZFXEIABVFX-NMVJMZGASA-N 1 1 495.656 4.806 20 30 JJEDMO Cc1c(Cl)c(Cl)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C#N ZINC001164755746 720878486 /nfs/dbraw/zinc/87/84/86/720878486.db2.gz YRPFFZMUMXFGGZ-CPJSRVTESA-N 1 1 486.447 4.719 20 30 JJEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751411 720912518 /nfs/dbraw/zinc/91/25/18/720912518.db2.gz MHGMGLAFFQKKKP-RBJSKKJNSA-N 1 1 485.657 4.832 20 30 JJEDMO CC1(C)CCCc2cc(C#N)c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164750766 720936258 /nfs/dbraw/zinc/93/62/58/720936258.db2.gz KMNQQHHJFJMIKS-FREGXXQWSA-N 1 1 485.676 4.717 20 30 JJEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@@H]3C2)cn1 ZINC001164759749 721246998 /nfs/dbraw/zinc/24/69/98/721246998.db2.gz BIZXIOOSIDNXGK-RTWAWAEBSA-N 1 1 482.966 4.510 20 30 JJEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164906618 721567716 /nfs/dbraw/zinc/56/77/16/721567716.db2.gz KIEOTSMSPMRTCP-TZIWHRDSSA-N 1 1 499.924 4.695 20 30 JJEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164904709 721568099 /nfs/dbraw/zinc/56/80/99/721568099.db2.gz FJBGCJCCTHXSNU-PZJWPPBQSA-N 1 1 499.924 4.695 20 30 JJEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)C2 ZINC001164910063 721755145 /nfs/dbraw/zinc/75/51/45/721755145.db2.gz KJSSHEBVWSDGEB-UHFFFAOYSA-N 1 1 488.954 4.990 20 30 JJEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)C2 ZINC001164910063 721755147 /nfs/dbraw/zinc/75/51/47/721755147.db2.gz KJSSHEBVWSDGEB-UHFFFAOYSA-N 1 1 488.954 4.990 20 30 JJEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)C2 ZINC001164910757 721761969 /nfs/dbraw/zinc/76/19/69/721761969.db2.gz KUKGIXLXAKMZBI-UHFFFAOYSA-N 1 1 479.584 4.909 20 30 JJEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)C2 ZINC001164910757 721761973 /nfs/dbraw/zinc/76/19/73/721761973.db2.gz KUKGIXLXAKMZBI-UHFFFAOYSA-N 1 1 479.584 4.909 20 30 JJEDMO N#CC(c1nc2ccccc2nc1N1CCCC[C@@H]1CC[NH+]1CCCC1)S(=O)(=O)c1ccccc1 ZINC001165047374 721975787 /nfs/dbraw/zinc/97/57/87/721975787.db2.gz FUGXYNCZOWZBJC-BWKNWUBXSA-N 1 1 489.645 4.513 20 30 JJEDMO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164958817 722025452 /nfs/dbraw/zinc/02/54/52/722025452.db2.gz GBFCOBNLVCOAED-UHFFFAOYSA-N 1 1 453.924 4.926 20 30 JJEDMO C=CCOC[C@@H]1CCC[C@]12CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CCO2 ZINC001164973746 722169445 /nfs/dbraw/zinc/16/94/45/722169445.db2.gz CRKJYFBUZOTRCC-DCFHFQCYSA-N 1 1 482.694 4.744 20 30 JJEDMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CCS1 ZINC001359747758 1064330280 /nfs/dbraw/zinc/33/02/80/1064330280.db2.gz HXLFCKRSTHYMFC-GGAORHGYSA-N 1 1 452.672 4.515 20 30 JJEDMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CCS1 ZINC001359747834 1064331321 /nfs/dbraw/zinc/33/13/21/1064331321.db2.gz JTKWWYDEFHAFTG-QFIPXVFZSA-N 1 1 452.672 4.517 20 30 JJEDMO CC(C)Cc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCSC1(C)C ZINC001359841069 1064527550 /nfs/dbraw/zinc/52/75/50/1064527550.db2.gz AGLQUDAQTZMCJB-QHCPKHFHSA-N 1 1 466.699 4.592 20 30 JJEDMO CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001359849527 1064536199 /nfs/dbraw/zinc/53/61/99/1064536199.db2.gz LJFGTUMJDLHWIK-NRFANRHFSA-N 1 1 498.119 4.839 20 30 JJEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC001435339084 1064709190 /nfs/dbraw/zinc/70/91/90/1064709190.db2.gz KNOUFYVXPLUYLH-NVQXNPDNSA-N 1 1 455.606 4.721 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1 ZINC001360010463 1064802643 /nfs/dbraw/zinc/80/26/43/1064802643.db2.gz QDXCYRYTONJOJN-GPXOXTDOSA-N 1 1 462.686 4.978 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001360010645 1064803598 /nfs/dbraw/zinc/80/35/98/1064803598.db2.gz TWKIZJIRQOYVGV-NOZRDPDXSA-N 1 1 478.685 4.969 20 30 JJEDMO CC(C)N(Cc1ccco1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001360142504 1065042420 /nfs/dbraw/zinc/04/24/20/1065042420.db2.gz XVVUGROGHMZFJJ-HSZRJFAPSA-N 1 1 476.625 4.857 20 30 JJEDMO CC(C)OCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001360377144 1065237985 /nfs/dbraw/zinc/23/79/85/1065237985.db2.gz YOXXABLHDRVRKC-NRFANRHFSA-N 1 1 478.666 4.967 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360466377 1065378175 /nfs/dbraw/zinc/37/81/75/1065378175.db2.gz CKHFLZCFNZOANL-VQIMIIECSA-N 1 1 459.436 4.566 20 30 JJEDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(F)F)CC1 ZINC001360466641 1065379650 /nfs/dbraw/zinc/37/96/50/1065379650.db2.gz NQKQIOKQEMGZDH-KRWDZBQOSA-N 1 1 456.566 4.807 20 30 JJEDMO C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001360478714 1065396058 /nfs/dbraw/zinc/39/60/58/1065396058.db2.gz MSBMPROEMYXWID-URXFXBBRSA-N 1 1 462.667 4.971 20 30 JJEDMO C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001360482922 1065402999 /nfs/dbraw/zinc/40/29/99/1065402999.db2.gz NJFKQQVYMKVMID-WQDFSMHNSA-N 1 1 478.685 4.846 20 30 JJEDMO C=CCc1cc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc(OC)c1OC ZINC001436631883 1065408198 /nfs/dbraw/zinc/40/81/98/1065408198.db2.gz PSIWERCADGBZJO-IZZNHLLZSA-N 1 1 474.576 4.969 20 30 JJEDMO C[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1)[N@@H+](C)C1CC1 ZINC001360540946 1065526951 /nfs/dbraw/zinc/52/69/51/1065526951.db2.gz JWHYKLLBECYJGC-QRQCRPRQSA-N 1 1 491.865 4.974 20 30 JJEDMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001360741523 1065775711 /nfs/dbraw/zinc/77/57/11/1065775711.db2.gz PZWDAUHPHVKISF-PMACEKPBSA-N 1 1 454.594 4.562 20 30 JJEDMO O=C(N[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)c1cc(F)c(C(F)(F)F)cc1F ZINC001440296134 1065928435 /nfs/dbraw/zinc/92/84/35/1065928435.db2.gz LFNSFEPXCYHLAL-GOSISDBHSA-N 1 1 452.345 4.920 20 30 JJEDMO O=C(N[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)c(C(F)(F)F)cc1F ZINC001440296134 1065928447 /nfs/dbraw/zinc/92/84/47/1065928447.db2.gz LFNSFEPXCYHLAL-GOSISDBHSA-N 1 1 452.345 4.920 20 30 JJEDMO COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)c2)c1 ZINC001440872055 1065987123 /nfs/dbraw/zinc/98/71/23/1065987123.db2.gz UWPKJDKMHYFAFB-SANMLTNESA-N 1 1 456.517 4.615 20 30 JJEDMO COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)c2)c1 ZINC001440872055 1065987133 /nfs/dbraw/zinc/98/71/33/1065987133.db2.gz UWPKJDKMHYFAFB-SANMLTNESA-N 1 1 456.517 4.615 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1C ZINC001360873588 1066009665 /nfs/dbraw/zinc/00/96/65/1066009665.db2.gz GPXLRNKSAKTXSE-FAHANXHHSA-N 1 1 494.684 4.666 20 30 JJEDMO Cc1cc(C)cc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC001361018256 1066208052 /nfs/dbraw/zinc/20/80/52/1066208052.db2.gz KGKHWSCTFGLLIC-ISKFKSNPSA-N 1 1 464.658 4.867 20 30 JJEDMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001361032170 1066245573 /nfs/dbraw/zinc/24/55/73/1066245573.db2.gz MOWWANIQIVGHKB-YIXXDRMTSA-N 1 1 464.658 4.724 20 30 JJEDMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(CC#N)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001361089518 1066336226 /nfs/dbraw/zinc/33/62/26/1066336226.db2.gz WIULPLBSRUKUGQ-NRFANRHFSA-N 1 1 485.076 4.866 20 30 JJEDMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001361125889 1066380052 /nfs/dbraw/zinc/38/00/52/1066380052.db2.gz GMJZIKWYGQVVRE-UHFFFAOYSA-N 1 1 494.684 4.530 20 30 JJEDMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2CC[N@H+](C)C(C)C)c1 ZINC001361126616 1066385542 /nfs/dbraw/zinc/38/55/42/1066385542.db2.gz WFRFCLJBAOUTLV-UHFFFAOYSA-N 1 1 452.647 4.759 20 30 JJEDMO Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1Br ZINC001361205567 1066536821 /nfs/dbraw/zinc/53/68/21/1066536821.db2.gz LUXSQHWQDYUHFF-CVDCTZTESA-N 1 1 489.437 4.578 20 30 JJEDMO CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)c1 ZINC001456487028 1066596897 /nfs/dbraw/zinc/59/68/97/1066596897.db2.gz DSNFCRYYMFTWSV-ICDZXHCJSA-N 1 1 459.615 4.961 20 30 JJEDMO Cc1[nH+]ccn1CCCCn1c(-c2cc(F)ccc2Br)nnc1N(C)[C@H](C)CC#N ZINC001492705983 1066866856 /nfs/dbraw/zinc/86/68/56/1066866856.db2.gz YLJDJSQVJPZDNT-OAHLLOKOSA-N 1 1 474.382 4.570 20 30 JJEDMO O=C(NCC(F)(C(F)(F)F)C(F)(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001457934122 1066943337 /nfs/dbraw/zinc/94/33/37/1066943337.db2.gz NCBXBKYFOPBFBA-DLBZAZTESA-N 1 1 454.430 4.874 20 30 JJEDMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC001448829414 1066960403 /nfs/dbraw/zinc/96/04/03/1066960403.db2.gz LEUBAMIBYSTMAR-IEUSDUHPSA-N 1 1 479.068 4.843 20 30 JJEDMO CCC#C[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CC[N@@H+](CC)C3 ZINC001458857526 1067175061 /nfs/dbraw/zinc/17/50/61/1067175061.db2.gz ABBMMSGMGVSPIJ-INIZCTEOSA-N 1 1 453.633 4.728 20 30 JJEDMO CCC#C[C@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CC[N@H+](CC)C3 ZINC001458857526 1067175063 /nfs/dbraw/zinc/17/50/63/1067175063.db2.gz ABBMMSGMGVSPIJ-INIZCTEOSA-N 1 1 453.633 4.728 20 30 JJEDMO CN(C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001459452409 1067327124 /nfs/dbraw/zinc/32/71/24/1067327124.db2.gz UKFXMZLMUYYUGF-NDEPHWFRSA-N 1 1 457.549 4.789 20 30 JJEDMO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(N3c4ccccc4C[C@H]3C)CC2)ccc1Cl ZINC001459708979 1067390710 /nfs/dbraw/zinc/39/07/10/1067390710.db2.gz VTDYWAANSJFIDG-HXUWFJFHSA-N 1 1 451.014 4.811 20 30 JJEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@H](C)[N@@H+](Cc4ccccc4)C[C@H]3C)sc2C1 ZINC001459771907 1067415623 /nfs/dbraw/zinc/41/56/23/1067415623.db2.gz OGBNXXDGVXJLHD-AQNXPRMDSA-N 1 1 450.652 4.668 20 30 JJEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](C)N(Cc4ccccc4)C[C@H]3C)sc2C1 ZINC001459771907 1067415626 /nfs/dbraw/zinc/41/56/26/1067415626.db2.gz OGBNXXDGVXJLHD-AQNXPRMDSA-N 1 1 450.652 4.668 20 30 JJEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H](C)N(Cc4ccccc4)C[C@H]3C)sc2C1 ZINC001459771907 1067415629 /nfs/dbraw/zinc/41/56/29/1067415629.db2.gz OGBNXXDGVXJLHD-AQNXPRMDSA-N 1 1 450.652 4.668 20 30 JJEDMO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc2ccccc2c1 ZINC001459849071 1067454146 /nfs/dbraw/zinc/45/41/46/1067454146.db2.gz HZPIVSXKHBSPES-FQEVSTJZSA-N 1 1 450.564 4.567 20 30 JJEDMO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC001459899736 1067479337 /nfs/dbraw/zinc/47/93/37/1067479337.db2.gz UPQZMMZJGKRFLI-KZULUSFZSA-N 1 1 455.381 4.630 20 30 JJEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)c1C#N ZINC001459939686 1067500133 /nfs/dbraw/zinc/50/01/33/1067500133.db2.gz YYWLVOBBNPEURS-SANMLTNESA-N 1 1 455.606 4.721 20 30 JJEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC001459950056 1067503919 /nfs/dbraw/zinc/50/39/19/1067503919.db2.gz HBKRWMUILHTOTR-INIZCTEOSA-N 1 1 451.514 4.906 20 30 JJEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC001459950056 1067503925 /nfs/dbraw/zinc/50/39/25/1067503925.db2.gz HBKRWMUILHTOTR-INIZCTEOSA-N 1 1 451.514 4.906 20 30 JJEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1C)c1ccc(F)c(F)c1 ZINC001459981298 1067514833 /nfs/dbraw/zinc/51/48/33/1067514833.db2.gz XRQDKQJNRLIORK-LJQANCHMSA-N 1 1 456.274 4.723 20 30 JJEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001460015267 1067528297 /nfs/dbraw/zinc/52/82/97/1067528297.db2.gz IVEOKMQUYZEZBW-FGZHOGPDSA-N 1 1 456.631 4.565 20 30 JJEDMO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)c1cccc(Cl)c1 ZINC001460195900 1067576542 /nfs/dbraw/zinc/57/65/42/1067576542.db2.gz JBJHEJVRZRYJAZ-JOCHJYFZSA-N 1 1 454.933 4.674 20 30 JJEDMO CSc1ccccc1OC[C@@H](O)C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC001460239345 1067588795 /nfs/dbraw/zinc/58/87/95/1067588795.db2.gz FXHLVKNOIXCCCH-IBGZPJMESA-N 1 1 453.526 4.809 20 30 JJEDMO C[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001460341382 1067611975 /nfs/dbraw/zinc/61/19/75/1067611975.db2.gz GUIJFGFBGPEECJ-AQNXPRMDSA-N 1 1 450.652 4.810 20 30 JJEDMO C[C@@H]([NH2+][C@@H](C)c1cc(F)c(Br)cc1F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001460445290 1067636274 /nfs/dbraw/zinc/63/62/74/1067636274.db2.gz JJQSSXFBOROMEQ-VHSXEESVSA-N 1 1 454.340 4.827 20 30 JJEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC001460572744 1067658662 /nfs/dbraw/zinc/65/86/62/1067658662.db2.gz GLDUPFFDEMXLTR-RDTXWAMCSA-N 1 1 452.407 4.897 20 30 JJEDMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC001460727021 1067710787 /nfs/dbraw/zinc/71/07/87/1067710787.db2.gz DFSPOZPUSXSJLD-AUSIDOKSSA-N 1 1 454.615 4.785 20 30 JJEDMO C[C@@]1(NCC(=O)Nc2cc(Cl)ccc2C#N)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001460869225 1067738367 /nfs/dbraw/zinc/73/83/67/1067738367.db2.gz DHOWOPCCDBIGMU-RPLLCQBOSA-N 1 1 458.993 4.798 20 30 JJEDMO C[C@@]1([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001460869225 1067738374 /nfs/dbraw/zinc/73/83/74/1067738374.db2.gz DHOWOPCCDBIGMU-RPLLCQBOSA-N 1 1 458.993 4.798 20 30 JJEDMO C[C@@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001460870604 1067739051 /nfs/dbraw/zinc/73/90/51/1067739051.db2.gz JSZWDAWCHILYSZ-NRFANRHFSA-N 1 1 454.945 4.985 20 30 JJEDMO C[C@@]1(Cc2ccc(Cl)s2)CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001460870604 1067739060 /nfs/dbraw/zinc/73/90/60/1067739060.db2.gz JSZWDAWCHILYSZ-NRFANRHFSA-N 1 1 454.945 4.985 20 30 JJEDMO CCC1(CC)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CCS1 ZINC001546121087 1067770964 /nfs/dbraw/zinc/77/09/64/1067770964.db2.gz KPSWDJXLTJZRAK-HSZRJFAPSA-N 1 1 496.725 4.961 20 30 JJEDMO CC1(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001463826695 1068538991 /nfs/dbraw/zinc/53/89/91/1068538991.db2.gz VHEWOQQIEZEVCA-UHFFFAOYSA-N 1 1 451.014 4.553 20 30 JJEDMO C=CC[C@H]1CCCN(S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC001464033766 1068595105 /nfs/dbraw/zinc/59/51/05/1068595105.db2.gz JZTZMIPJRUJBGD-KSNOWIBYSA-N 1 1 459.055 4.926 20 30 JJEDMO C=CCN1C(=O)CC[C@]12CCCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)[C@H]2CC ZINC001164704541 719823537 /nfs/dbraw/zinc/82/35/37/719823537.db2.gz ZIRUDAIPKIBOFK-FNZWTVRRSA-N 1 1 467.683 4.830 20 30 JJEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)CC2 ZINC001164713003 720158400 /nfs/dbraw/zinc/15/84/00/720158400.db2.gz JJTHALCOOPXTGD-FQEVSTJZSA-N 1 1 479.987 4.801 20 30 JJEDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)CCC2 ZINC001164814047 720225632 /nfs/dbraw/zinc/22/56/32/720225632.db2.gz RRDQWCPRZWABDR-UHFFFAOYSA-N 1 1 484.629 4.642 20 30 JJEDMO Cc1nc(C#Cc2ccnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2)c(C)n1-c1ccc(F)cc1 ZINC001164722596 720383087 /nfs/dbraw/zinc/38/30/87/720383087.db2.gz DPDBYUKMRCPSIA-URLMMPGGSA-N 1 1 492.602 4.671 20 30 JJEDMO CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730948 720416356 /nfs/dbraw/zinc/41/63/56/720416356.db2.gz KALHUEUNRWDDRC-DNQXCXABSA-N 1 1 475.713 4.543 20 30 JJEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164842754 720699424 /nfs/dbraw/zinc/69/94/24/720699424.db2.gz NCVDSPBBROGDKV-VWNXMTODSA-N 1 1 471.580 4.531 20 30 JJEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164749000 720873580 /nfs/dbraw/zinc/87/35/80/720873580.db2.gz GBAWAIHTJJEQAG-YZNIXAGQSA-N 1 1 497.618 4.909 20 30 JJEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751412 720912926 /nfs/dbraw/zinc/91/29/26/720912926.db2.gz MHGMGLAFFQKKKP-UFHPHHKVSA-N 1 1 485.657 4.832 20 30 JJEDMO N#Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccc(Cl)cc12 ZINC001164749175 720931135 /nfs/dbraw/zinc/93/11/35/720931135.db2.gz IEADNKZPBNVUSV-NEKDWFFYSA-N 1 1 488.035 4.910 20 30 JJEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C[C@@H]3C2)cn1 ZINC001164763304 721144306 /nfs/dbraw/zinc/14/43/06/721144306.db2.gz FASRWQVVNIMUTC-UNMCSNQZSA-N 1 1 454.603 4.527 20 30 JJEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)c(C#N)c(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164768951 721250876 /nfs/dbraw/zinc/25/08/76/721250876.db2.gz ZDPHQRXAIHEAOU-JKSUJKDBSA-N 1 1 491.373 4.650 20 30 JJEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164886628 721415499 /nfs/dbraw/zinc/41/54/99/721415499.db2.gz KIANHEYOZYEOFH-NEKDWFFYSA-N 1 1 487.673 4.600 20 30 JJEDMO N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)cc2c1Cl ZINC001164787535 721440431 /nfs/dbraw/zinc/44/04/31/721440431.db2.gz XMLFZMOOCIAEDW-STQMWFEESA-N 1 1 480.371 4.983 20 30 JJEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(C#N)c(Cl)nc3cccc(C)c31)CC2 ZINC001164791699 721474546 /nfs/dbraw/zinc/47/45/46/721474546.db2.gz XRFJMOOKXLTPHR-OAQYLSRUSA-N 1 1 483.056 4.802 20 30 JJEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164906616 721567763 /nfs/dbraw/zinc/56/77/63/721567763.db2.gz KIEOTSMSPMRTCP-PZJWPPBQSA-N 1 1 499.924 4.695 20 30 JJEDMO N#Cc1ccc(-c2cccs2)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164909869 721726127 /nfs/dbraw/zinc/72/61/27/721726127.db2.gz DZPNXBWBSOYTFR-QHCPKHFHSA-N 1 1 451.546 4.814 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@H]21 ZINC001165024209 721813622 /nfs/dbraw/zinc/81/36/22/721813622.db2.gz JULWGOLWWKTLRU-NYQDVAGCSA-N 1 1 476.987 4.940 20 30 JJEDMO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955815 722012700 /nfs/dbraw/zinc/01/27/00/722012700.db2.gz ZRZIMAWDWPQVAZ-UHFFFAOYSA-N 1 1 452.336 4.692 20 30 JJEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164958875 722024521 /nfs/dbraw/zinc/02/45/21/722024521.db2.gz GNWHEDOECMVQDH-UHFFFAOYSA-N 1 1 460.969 4.681 20 30 JJEDMO N#Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164975669 722122434 /nfs/dbraw/zinc/12/24/34/722122434.db2.gz KGACOUQFWGKANO-DHLKQENFSA-N 1 1 481.625 4.957 20 30 JJEDMO C=CCOC[C@H]1CCC[C@]12CN(c1nc(C[NH+](CC)CC)nc3sc(C)c(C)c31)CCO2 ZINC001164979999 722169322 /nfs/dbraw/zinc/16/93/22/722169322.db2.gz VYRGQXRTOJUINU-NLFFAJNJSA-N 1 1 458.672 4.728 20 30 JJEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164996725 722203378 /nfs/dbraw/zinc/20/33/78/722203378.db2.gz VWNMNPVDHPKMTF-HSZRJFAPSA-N 1 1 492.929 4.712 20 30 JJEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164996725 722203380 /nfs/dbraw/zinc/20/33/80/722203380.db2.gz VWNMNPVDHPKMTF-HSZRJFAPSA-N 1 1 492.929 4.712 20 30 JJEDMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCS1 ZINC001359747759 1064330374 /nfs/dbraw/zinc/33/03/74/1064330374.db2.gz HXLFCKRSTHYMFC-GMAHTHKFSA-N 1 1 452.672 4.515 20 30 JJEDMO CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001359762140 1064374274 /nfs/dbraw/zinc/37/42/74/1064374274.db2.gz QKPMBVLDXUGQNH-RSXGOPAZSA-N 1 1 478.685 4.512 20 30 JJEDMO CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001359849529 1064536147 /nfs/dbraw/zinc/53/61/47/1064536147.db2.gz LJFGTUMJDLHWIK-OAQYLSRUSA-N 1 1 498.119 4.839 20 30 JJEDMO CC(C)Cc1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359859582 1064548216 /nfs/dbraw/zinc/54/82/16/1064548216.db2.gz ABKUTRRWXDYRBE-FGZHOGPDSA-N 1 1 474.575 4.964 20 30 JJEDMO CC(C)CCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1C[C@H]1CC[N@H+](C2CC2)C1 ZINC001359926642 1064660466 /nfs/dbraw/zinc/66/04/66/1064660466.db2.gz WKPUCFVCAKFDCM-IBGZPJMESA-N 1 1 485.474 4.958 20 30 JJEDMO CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001359927184 1064663129 /nfs/dbraw/zinc/66/31/29/1064663129.db2.gz PYUVPTKNJPXKBB-DEOSSOPVSA-N 1 1 480.657 4.603 20 30 JJEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC001435339081 1064709601 /nfs/dbraw/zinc/70/96/01/1064709601.db2.gz KNOUFYVXPLUYLH-ATIYNZHBSA-N 1 1 455.606 4.721 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H](C)CC#N)C1 ZINC001360007708 1064795153 /nfs/dbraw/zinc/79/51/53/1064795153.db2.gz GIUIQAYMJGDPOX-MOPGFXCFSA-N 1 1 460.573 4.653 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCSC(C)(C)C2)C1 ZINC001360010910 1064805431 /nfs/dbraw/zinc/80/54/31/1064805431.db2.gz YAXBSMCCFFHOPN-NRFANRHFSA-N 1 1 452.672 4.517 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CC(C)(C)C)C1 ZINC001360012072 1064808365 /nfs/dbraw/zinc/80/83/65/1064808365.db2.gz LYVPJZMQHXKVQL-QFIPXVFZSA-N 1 1 452.647 4.579 20 30 JJEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC001435567481 1064838627 /nfs/dbraw/zinc/83/86/27/1064838627.db2.gz UVFWTIKZAMRMJD-SJORKVTESA-N 1 1 450.073 4.960 20 30 JJEDMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001360034484 1064839352 /nfs/dbraw/zinc/83/93/52/1064839352.db2.gz FWGJGRSXODSHGV-IBGZPJMESA-N 1 1 491.467 4.739 20 30 JJEDMO CC(C)CSCCn1c(C2CCC2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001360083611 1064946001 /nfs/dbraw/zinc/94/60/01/1064946001.db2.gz MRVAAZRGDASTPD-UHFFFAOYSA-N 1 1 452.672 4.519 20 30 JJEDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(Br)cc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435749422 1064972919 /nfs/dbraw/zinc/97/29/19/1064972919.db2.gz MXCRRXCOTIJTLJ-YJYMSZOUSA-N 1 1 450.739 4.536 20 30 JJEDMO CC(C)[N@@H+](C)CCCn1c(-c2ccc(Br)s2)nnc1N1CCC(CC#N)CC1 ZINC001360097255 1064974122 /nfs/dbraw/zinc/97/41/22/1064974122.db2.gz AZTJUCBZFJMYIX-UHFFFAOYSA-N 1 1 465.465 4.629 20 30 JJEDMO CC(C)SCCn1c(CC2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001360423346 1065290668 /nfs/dbraw/zinc/29/06/68/1065290668.db2.gz SSCLMTVYBMGASP-UHFFFAOYSA-N 1 1 466.699 4.736 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001360480647 1065398934 /nfs/dbraw/zinc/39/89/34/1065398934.db2.gz DRWQORYKHLNQMB-IECBHUPTSA-N 1 1 482.629 4.879 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001360483561 1065403872 /nfs/dbraw/zinc/40/38/72/1065403872.db2.gz YVYNFYYIWSRNDB-JMJGKCIBSA-N 1 1 456.679 4.732 20 30 JJEDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC001436843181 1065450223 /nfs/dbraw/zinc/45/02/23/1065450223.db2.gz GWKKJQJSAHPSTN-SHQCIBLASA-N 1 1 455.558 4.617 20 30 JJEDMO C[C@@H](CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)c1nccs1 ZINC001360521673 1065496460 /nfs/dbraw/zinc/49/64/60/1065496460.db2.gz XQHJVLUEGBNYFL-RXVVDRJESA-N 1 1 463.655 4.634 20 30 JJEDMO C[C@@H](CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C)c1nccs1 ZINC001360521671 1065496511 /nfs/dbraw/zinc/49/65/11/1065496511.db2.gz XQHJVLUEGBNYFL-GHTZIAJQSA-N 1 1 463.655 4.634 20 30 JJEDMO C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccc(Cl)s1)[N@@H+](C)C1CC1 ZINC001360583899 1065582258 /nfs/dbraw/zinc/58/22/58/1065582258.db2.gz MWMSWNVFLKZHIH-INIZCTEOSA-N 1 1 471.030 4.563 20 30 JJEDMO CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(C#N)o2)CC1 ZINC001360770547 1065866632 /nfs/dbraw/zinc/86/66/32/1065866632.db2.gz YZJGYKYPOYNXQA-IBGZPJMESA-N 1 1 480.588 4.627 20 30 JJEDMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360775504 1065878106 /nfs/dbraw/zinc/87/81/06/1065878106.db2.gz VPGDQBCIJFYDPB-IATMXGELSA-N 1 1 468.621 4.808 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[N@H+]2CCC[C@H](C)C2)c1C ZINC001360874652 1066014620 /nfs/dbraw/zinc/01/46/20/1066014620.db2.gz NUQONMPEIJPAIF-HRRBBWQUSA-N 1 1 464.658 4.897 20 30 JJEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001360908573 1066064126 /nfs/dbraw/zinc/06/41/26/1066064126.db2.gz GEMUBWIXLANFNE-LJQANCHMSA-N 1 1 450.073 4.819 20 30 JJEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001360908572 1066064245 /nfs/dbraw/zinc/06/42/45/1066064245.db2.gz GEMUBWIXLANFNE-IBGZPJMESA-N 1 1 450.073 4.819 20 30 JJEDMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001360987166 1066157361 /nfs/dbraw/zinc/15/73/61/1066157361.db2.gz UGRNLVUQIVVPOI-VAMGGRTRSA-N 1 1 482.032 4.886 20 30 JJEDMO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001361087242 1066325915 /nfs/dbraw/zinc/32/59/15/1066325915.db2.gz DDSBVGBJPAXWSQ-XXBNENTESA-N 1 1 487.092 4.968 20 30 JJEDMO C[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C1([NH+]2CCOCC2)CCCC1 ZINC001443999158 1066392868 /nfs/dbraw/zinc/39/28/68/1066392868.db2.gz QBAOZNWPHIMUDB-GOSISDBHSA-N 1 1 453.970 4.767 20 30 JJEDMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361130283 1066395045 /nfs/dbraw/zinc/39/50/45/1066395045.db2.gz LJSJCRJNJMGUKA-GOTSBHOMSA-N 1 1 494.684 4.528 20 30 JJEDMO Cc1ccc(C)c(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361155329 1066454161 /nfs/dbraw/zinc/45/41/61/1066454161.db2.gz SBNTZIIAEGZNAX-XXAUWVGASA-N 1 1 482.648 4.674 20 30 JJEDMO Cc1ccc(C)c(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361155327 1066454427 /nfs/dbraw/zinc/45/44/27/1066454427.db2.gz SBNTZIIAEGZNAX-UMTXDNHDSA-N 1 1 482.648 4.674 20 30 JJEDMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361155959 1066456911 /nfs/dbraw/zinc/45/69/11/1066456911.db2.gz JPYHJQGFTKFDEX-WHCXKFMVSA-N 1 1 464.658 4.724 20 30 JJEDMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361156315 1066458982 /nfs/dbraw/zinc/45/89/82/1066458982.db2.gz SGPMXHAYZIEGRW-KCWPFWIISA-N 1 1 464.658 4.724 20 30 JJEDMO Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1Br ZINC001361175540 1066493500 /nfs/dbraw/zinc/49/35/00/1066493500.db2.gz QNYMAUKCVFXZMJ-OTWHNJEPSA-N 1 1 487.490 4.980 20 30 JJEDMO Cc1nc(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC001492666490 1066791836 /nfs/dbraw/zinc/79/18/36/1066791836.db2.gz VYAYCMMXGRXTAP-FQEVSTJZSA-N 1 1 477.682 4.797 20 30 JJEDMO Cc1[nH+]ccn1CCn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCC(CC#N)CC1 ZINC001492710565 1066875831 /nfs/dbraw/zinc/87/58/31/1066875831.db2.gz UNPQIGGFNPWZTL-UHFFFAOYSA-N 1 1 461.614 4.705 20 30 JJEDMO N#C[C@H](CCc1ccccc1)C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001450139058 1067053050 /nfs/dbraw/zinc/05/30/50/1067053050.db2.gz HXJUKRJJMHQNNO-WUFINQPMSA-N 1 1 452.602 4.847 20 30 JJEDMO CCC1(CC)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001546104733 1067196545 /nfs/dbraw/zinc/19/65/45/1067196545.db2.gz HRFMLAAVBWKVLQ-OYRHEFFESA-N 1 1 464.658 4.721 20 30 JJEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)CCCOc2ccc(Cl)cc2)c1C#N ZINC001459327608 1067295742 /nfs/dbraw/zinc/29/57/42/1067295742.db2.gz SOADLRAOSPJKRQ-UHFFFAOYSA-N 1 1 450.970 4.959 20 30 JJEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)CCCOc2ccc(Cl)cc2)c1C#N ZINC001459327608 1067295762 /nfs/dbraw/zinc/29/57/62/1067295762.db2.gz SOADLRAOSPJKRQ-UHFFFAOYSA-N 1 1 450.970 4.959 20 30 JJEDMO C=CCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459455082 1067327580 /nfs/dbraw/zinc/32/75/80/1067327580.db2.gz QXHFOWQVSCISDP-IFXJQAMLSA-N 1 1 454.423 4.871 20 30 JJEDMO C=CCN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459455082 1067327589 /nfs/dbraw/zinc/32/75/89/1067327589.db2.gz QXHFOWQVSCISDP-IFXJQAMLSA-N 1 1 454.423 4.871 20 30 JJEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001459538530 1067347469 /nfs/dbraw/zinc/34/74/69/1067347469.db2.gz GJHOWQJFGCDVNJ-AGILITTLSA-N 1 1 452.574 4.569 20 30 JJEDMO C[C@@H]1C[C@H](N(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@H+]1Cc1ccccc1 ZINC001459606853 1067361922 /nfs/dbraw/zinc/36/19/22/1067361922.db2.gz WLYQJOCGQHIGPJ-TZIWHRDSSA-N 1 1 450.652 4.812 20 30 JJEDMO C=CCN(C(=O)C[N@H+]1CC[C@H](COCC)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459641689 1067370662 /nfs/dbraw/zinc/37/06/62/1067370662.db2.gz YSAGQJOPFSGBLL-HNNXBMFYSA-N 1 1 454.423 4.994 20 30 JJEDMO C=CCN(C(=O)C[N@@H+]1CC[C@H](COCC)C1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459641689 1067370670 /nfs/dbraw/zinc/37/06/70/1067370670.db2.gz YSAGQJOPFSGBLL-HNNXBMFYSA-N 1 1 454.423 4.994 20 30 JJEDMO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC001459716113 1067393972 /nfs/dbraw/zinc/39/39/72/1067393972.db2.gz KBDQUPLXWDSSAH-AVRDEDQJSA-N 1 1 451.567 4.544 20 30 JJEDMO N#Cc1c(NC(=O)CC[N@H+](Cc2csc(Br)c2)C2CC2)sc2c1CCC2 ZINC001459798292 1067428574 /nfs/dbraw/zinc/42/85/74/1067428574.db2.gz OQTBSYXHYXQZBP-UHFFFAOYSA-N 1 1 450.427 4.926 20 30 JJEDMO Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC001459899740 1067479301 /nfs/dbraw/zinc/47/93/01/1067479301.db2.gz UPQZMMZJGKRFLI-XIKOKIGWSA-N 1 1 455.381 4.630 20 30 JJEDMO C=CCN(C(=O)C[N@H+]1CCC[C@@H](CO)[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460226327 1067583919 /nfs/dbraw/zinc/58/39/19/1067583919.db2.gz JFNGONWWQTZRBW-HOCLYGCPSA-N 1 1 454.423 4.729 20 30 JJEDMO C=CCN(C(=O)C[N@@H+]1CCC[C@@H](CO)[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460226327 1067583926 /nfs/dbraw/zinc/58/39/26/1067583926.db2.gz JFNGONWWQTZRBW-HOCLYGCPSA-N 1 1 454.423 4.729 20 30 JJEDMO C[C@H]([NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001460449115 1067636631 /nfs/dbraw/zinc/63/66/31/1067636631.db2.gz BHCDKKYKWNLQON-WSXQUGQNSA-N 1 1 463.525 4.740 20 30 JJEDMO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(C(F)(F)F)ccc3Br)C2=O)cc1 ZINC001461436036 1067856196 /nfs/dbraw/zinc/85/61/96/1067856196.db2.gz ZSGIBZWKNYBSJL-SFHVURJKSA-N 1 1 452.274 4.625 20 30 JJEDMO Cn1cc(C[N@@H+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)c(-c2ccc(C#N)cc2)n1 ZINC001462548327 1068096283 /nfs/dbraw/zinc/09/62/83/1068096283.db2.gz OSHIWBCLZLHQAW-UHFFFAOYSA-N 1 1 459.550 4.700 20 30 JJEDMO Cn1cc(C[N@H+]2CCOc3ccc(NC(=O)OC(C)(C)C)cc3C2)c(-c2ccc(C#N)cc2)n1 ZINC001462548327 1068096300 /nfs/dbraw/zinc/09/63/00/1068096300.db2.gz OSHIWBCLZLHQAW-UHFFFAOYSA-N 1 1 459.550 4.700 20 30 JJEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)s1 ZINC001462642597 1068122506 /nfs/dbraw/zinc/12/25/06/1068122506.db2.gz KWVVJKYLYGUOTE-XXBNENTESA-N 1 1 462.084 4.819 20 30 JJEDMO N#CCc1ccc(S(=O)(=O)Oc2cccc(C[N@@H+]3CCc4ccccc4C3)c2)c(Cl)c1 ZINC001464002569 1068585475 /nfs/dbraw/zinc/58/54/75/1068585475.db2.gz YPBRWEWKBIEOJZ-UHFFFAOYSA-N 1 1 452.963 4.732 20 30 JJEDMO N#CCc1ccc(S(=O)(=O)Oc2cccc(C[N@H+]3CCc4ccccc4C3)c2)c(Cl)c1 ZINC001464002569 1068585480 /nfs/dbraw/zinc/58/54/80/1068585480.db2.gz YPBRWEWKBIEOJZ-UHFFFAOYSA-N 1 1 452.963 4.732 20 30 JJEDMO Cc1ccc(C(=O)/C=C\C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC001464072187 1068605619 /nfs/dbraw/zinc/60/56/19/1068605619.db2.gz IAHUKEOXQMMETR-NXVVXOECSA-N 1 1 453.586 4.690 20 30 JJEDMO CCN(C(=O)c1cccc(CNc2ncccc2C#N)c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001464398154 1068731453 /nfs/dbraw/zinc/73/14/53/1068731453.db2.gz IRQAUEURKHMFTI-QFQXNSOFSA-N 1 1 453.590 4.863 20 30 JJEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC001464475853 1068760204 /nfs/dbraw/zinc/76/02/04/1068760204.db2.gz SBCRTRZXHOEZJY-QHCPKHFHSA-N 1 1 453.533 4.597 20 30 JJEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CC2 ZINC001164709967 720096576 /nfs/dbraw/zinc/09/65/76/720096576.db2.gz DPLZXZFGDCCXPD-KRWDZBQOSA-N 1 1 496.389 4.707 20 30 JJEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)CC2 ZINC001164710206 720098432 /nfs/dbraw/zinc/09/84/32/720098432.db2.gz HDYJENPIWMOLKH-VWLOTQADSA-N 1 1 471.580 4.662 20 30 JJEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(-c3cccs3)ccc1C#N)CC2 ZINC001164714850 720143609 /nfs/dbraw/zinc/14/36/09/720143609.db2.gz ZVIVVUDXLFIXKA-JOCHJYFZSA-N 1 1 459.619 4.584 20 30 JJEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)CC2 ZINC001164714835 720144382 /nfs/dbraw/zinc/14/43/82/720144382.db2.gz ZSGKGQIFWXJODB-HHHXNRCGSA-N 1 1 497.643 4.629 20 30 JJEDMO CCCc1cc(C#N)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1Cl ZINC001164749591 720894515 /nfs/dbraw/zinc/89/45/15/720894515.db2.gz AIEBTXBQDUKDBV-SHQCIBLASA-N 1 1 480.056 4.709 20 30 JJEDMO N#Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc2ccc(Cl)cc12 ZINC001164749171 720931787 /nfs/dbraw/zinc/93/17/87/720931787.db2.gz IEADNKZPBNVUSV-FIPFOOKPSA-N 1 1 488.035 4.910 20 30 JJEDMO N#Cc1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164864065 721095798 /nfs/dbraw/zinc/09/57/98/721095798.db2.gz DXKFKABBXXFPOM-DHIUTWEWSA-N 1 1 467.598 4.710 20 30 JJEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164870589 721194845 /nfs/dbraw/zinc/19/48/45/721194845.db2.gz VUOCAAQZZCMMJO-PKTZIBPZSA-N 1 1 495.961 4.693 20 30 JJEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccc(C)cc4c(Cl)c3C#N)C2)C1 ZINC001164784602 721377096 /nfs/dbraw/zinc/37/70/96/721377096.db2.gz QTTDWSPXHFHSDP-AREMUKBSSA-N 1 1 480.012 4.792 20 30 JJEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccc(C)cc4c(Cl)c3C#N)C2)C1 ZINC001164784602 721377099 /nfs/dbraw/zinc/37/70/99/721377099.db2.gz QTTDWSPXHFHSDP-AREMUKBSSA-N 1 1 480.012 4.792 20 30 JJEDMO N#Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc2ccc(Cl)cc12 ZINC001164909063 721733986 /nfs/dbraw/zinc/73/39/86/721733986.db2.gz ANZPTDLVXUEGMV-HSZRJFAPSA-N 1 1 453.924 4.893 20 30 JJEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cnc(Cl)nc1Oc1ccc(C#N)cc1)C2 ZINC001164911693 721765362 /nfs/dbraw/zinc/76/53/62/721765362.db2.gz QYJGJOSFAREPES-UHFFFAOYSA-N 1 1 486.963 4.977 20 30 JJEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cnc(Cl)nc1Oc1ccc(C#N)cc1)C2 ZINC001164911693 721765365 /nfs/dbraw/zinc/76/53/65/721765365.db2.gz QYJGJOSFAREPES-UHFFFAOYSA-N 1 1 486.963 4.977 20 30 JJEDMO CSc1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165027808 721817022 /nfs/dbraw/zinc/81/70/22/721817022.db2.gz VYYRGADTSQXHOI-NKKJXINNSA-N 1 1 470.646 4.869 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)C[C@H]21 ZINC001165023191 721830645 /nfs/dbraw/zinc/83/06/45/721830645.db2.gz IGTRGCNVQDNBMX-UEVCKROQSA-N 1 1 474.996 4.926 20 30 JJEDMO N#CC(c1nc2ccccc2nc1N1CCCC[C@H]1CC[NH+]1CCCC1)S(=O)(=O)c1ccccc1 ZINC001165047375 721975955 /nfs/dbraw/zinc/97/59/55/721975955.db2.gz FUGXYNCZOWZBJC-OFVILXPXSA-N 1 1 489.645 4.513 20 30 JJEDMO N#Cc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164964992 722024544 /nfs/dbraw/zinc/02/45/44/722024544.db2.gz YKJBBJYNAPABIA-UHFFFAOYSA-N 1 1 460.969 4.681 20 30 JJEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164965686 722062730 /nfs/dbraw/zinc/06/27/30/722062730.db2.gz LLQQRZDQKQJKNO-UHFFFAOYSA-N 1 1 479.987 4.721 20 30 JJEDMO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972649 722159514 /nfs/dbraw/zinc/15/95/14/722159514.db2.gz IUYFYOKYZHVSIV-UWJYYQICSA-N 1 1 468.388 4.536 20 30 JJEDMO CC(C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CCCSc1nccs1 ZINC001359712022 1064260460 /nfs/dbraw/zinc/26/04/60/1064260460.db2.gz BRZJNBNUJRMMIZ-UHFFFAOYSA-N 1 1 481.695 4.624 20 30 JJEDMO C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435251038 1064627519 /nfs/dbraw/zinc/62/75/19/1064627519.db2.gz ARFYSNDUBCUPRE-AFMDSPMNSA-N 1 1 459.521 4.509 20 30 JJEDMO C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435251038 1064627522 /nfs/dbraw/zinc/62/75/22/1064627522.db2.gz ARFYSNDUBCUPRE-AFMDSPMNSA-N 1 1 459.521 4.509 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001360008247 1064796435 /nfs/dbraw/zinc/79/64/35/1064796435.db2.gz NOMYMGLSZTYYNO-FDDCHVKYSA-N 1 1 488.478 4.534 20 30 JJEDMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(CCC#N)CC2CC2)C1 ZINC001360035620 1064841186 /nfs/dbraw/zinc/84/11/86/1064841186.db2.gz OIWRUJUPEDEWGN-HXUWFJFHSA-N 1 1 491.467 4.739 20 30 JJEDMO CC(C)CSCCCn1c(-c2cccn2C)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001360077079 1064929588 /nfs/dbraw/zinc/92/95/88/1064929588.db2.gz YSOHIACQRKLYRY-UHFFFAOYSA-N 1 1 491.709 4.647 20 30 JJEDMO CC(C)N(Cc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001360122296 1065011344 /nfs/dbraw/zinc/01/13/44/1065011344.db2.gz BNUAIFQIWNHJHM-UHFFFAOYSA-N 1 1 491.709 4.567 20 30 JJEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC001436068266 1065157489 /nfs/dbraw/zinc/15/74/89/1065157489.db2.gz RXMWZUOFJVMMRG-UHFFFAOYSA-N 1 1 458.993 4.806 20 30 JJEDMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001360741524 1065775650 /nfs/dbraw/zinc/77/56/50/1065775650.db2.gz PZWDAUHPHVKISF-UXHICEINSA-N 1 1 454.594 4.562 20 30 JJEDMO CC1(C)CCC[N@@H+](CCn2c(-c3cccc(Br)c3)nnc2N2CCC(C#N)CC2)C1 ZINC001360808039 1065920015 /nfs/dbraw/zinc/92/00/15/1065920015.db2.gz DFURCUYQUAVARA-UHFFFAOYSA-N 1 1 471.447 4.570 20 30 JJEDMO CC1(C)CCC[N@@H+](CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC(CC#N)CC2)C1 ZINC001360808987 1065923296 /nfs/dbraw/zinc/92/32/96/1065923296.db2.gz YKVKCHWJBXQWRT-UHFFFAOYSA-N 1 1 471.049 4.763 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC001360866210 1065988024 /nfs/dbraw/zinc/98/80/24/1065988024.db2.gz OPYHMZUGHFCGIU-LCKKVJLRSA-N 1 1 482.673 4.519 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@H+]2CCC[C@H](C)C2)c1C ZINC001360874658 1066015147 /nfs/dbraw/zinc/01/51/47/1066015147.db2.gz NUQONMPEIJPAIF-OSADXMDESA-N 1 1 464.658 4.897 20 30 JJEDMO Cc1[nH+]ccn1CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@H](C)CC#N ZINC001360987063 1066156605 /nfs/dbraw/zinc/15/66/05/1066156605.db2.gz ROAWXAOLYWRAHM-MSOLQXFVSA-N 1 1 455.994 4.632 20 30 JJEDMO Cc1[nH+]ccn1CCn1c([C@@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H](C)CC#N ZINC001360987066 1066156676 /nfs/dbraw/zinc/15/66/76/1066156676.db2.gz ROAWXAOLYWRAHM-ZWKOTPCHSA-N 1 1 455.994 4.632 20 30 JJEDMO Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCC[N@H+](C)C2CCCCC2)c1 ZINC001361026648 1066226927 /nfs/dbraw/zinc/22/69/27/1066226927.db2.gz DVRMXWVVXFLYAU-SANMLTNESA-N 1 1 468.621 4.571 20 30 JJEDMO Cc1cc(C)cc(OCc2nnc(N3CCC(C#N)CC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC001361027304 1066229392 /nfs/dbraw/zinc/22/93/92/1066229392.db2.gz AWWHFNRERPAXPN-QHCPKHFHSA-N 1 1 464.658 4.869 20 30 JJEDMO Cc1[nH+]ccn1CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C)(C#N)CC1 ZINC001361029052 1066236060 /nfs/dbraw/zinc/23/60/60/1066236060.db2.gz YAHRDHGPYLKGNE-UHFFFAOYSA-N 1 1 461.614 4.589 20 30 JJEDMO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001454122689 1066248662 /nfs/dbraw/zinc/24/86/62/1066248662.db2.gz UFUSPSDJNNFODO-PKTZIBPZSA-N 1 1 455.643 4.655 20 30 JJEDMO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001361087240 1066325876 /nfs/dbraw/zinc/32/58/76/1066325876.db2.gz DDSBVGBJPAXWSQ-CVDCTZTESA-N 1 1 487.092 4.968 20 30 JJEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC001443809858 1066370850 /nfs/dbraw/zinc/37/08/50/1066370850.db2.gz ZGSFQWTYLUUIBD-SANMLTNESA-N 1 1 454.574 4.659 20 30 JJEDMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2CC[N@H+]2CCC[C@H](C)C2)c1 ZINC001361123316 1066373362 /nfs/dbraw/zinc/37/33/62/1066373362.db2.gz XISUXDCHKRQUJX-FCHUYYIVSA-N 1 1 452.647 4.759 20 30 JJEDMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CC#N)CC3)n2CC[N@@H+]2CCOCC2(C)C)c1 ZINC001361125766 1066379603 /nfs/dbraw/zinc/37/96/03/1066379603.db2.gz CSMAHKLPWOHBIV-UHFFFAOYSA-N 1 1 494.684 4.530 20 30 JJEDMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC(CC#N)CC3)n2CC[N@H+]2CCOCC2(C)C)c1 ZINC001361125766 1066379622 /nfs/dbraw/zinc/37/96/22/1066379622.db2.gz CSMAHKLPWOHBIV-UHFFFAOYSA-N 1 1 494.684 4.530 20 30 JJEDMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361155956 1066456746 /nfs/dbraw/zinc/45/67/46/1066456746.db2.gz JPYHJQGFTKFDEX-JEYPMZLKSA-N 1 1 464.658 4.724 20 30 JJEDMO Cc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC[N@H+]2CCCC(C)(C)C2)cc1Br ZINC001361171822 1066487964 /nfs/dbraw/zinc/48/79/64/1066487964.db2.gz WRRIMVCMHZQEDF-GOSISDBHSA-N 1 1 473.463 4.876 20 30 JJEDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cccc(CNc4ncccc4C#N)c3)cc2)C1 ZINC001445051120 1066533652 /nfs/dbraw/zinc/53/36/52/1066533652.db2.gz SEXYEIBNPPEVQF-FQEVSTJZSA-N 1 1 455.562 4.538 20 30 JJEDMO Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)cc1Br ZINC001361205569 1066536987 /nfs/dbraw/zinc/53/69/87/1066536987.db2.gz LUXSQHWQDYUHFF-XXBNENTESA-N 1 1 489.437 4.578 20 30 JJEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC001446323700 1066690436 /nfs/dbraw/zinc/69/04/36/1066690436.db2.gz OPGFGPYEBXWXMP-VWLOTQADSA-N 1 1 456.590 4.798 20 30 JJEDMO Cc1nc(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2CCCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC001492666491 1066791930 /nfs/dbraw/zinc/79/19/30/1066791930.db2.gz VYAYCMMXGRXTAP-HXUWFJFHSA-N 1 1 477.682 4.797 20 30 JJEDMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C#N)CC1 ZINC001492706015 1066867027 /nfs/dbraw/zinc/86/70/27/1066867027.db2.gz ZMPZVIZJNBXNJO-UHFFFAOYSA-N 1 1 486.393 4.572 20 30 JJEDMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001492706479 1066868439 /nfs/dbraw/zinc/86/84/39/1066868439.db2.gz OECXGZUZBQOHOX-HXUWFJFHSA-N 1 1 461.614 4.587 20 30 JJEDMO Cc1[nH+]ccn1CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001492706478 1066868450 /nfs/dbraw/zinc/86/84/50/1066868450.db2.gz OECXGZUZBQOHOX-FQEVSTJZSA-N 1 1 461.614 4.587 20 30 JJEDMO Cc1[nH+]ccn1CCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 ZINC001492709830 1066874386 /nfs/dbraw/zinc/87/43/86/1066874386.db2.gz VLTRNODXUIOAKS-UHFFFAOYSA-N 1 1 456.019 4.559 20 30 JJEDMO N#Cc1cc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001458086638 1066971104 /nfs/dbraw/zinc/97/11/04/1066971104.db2.gz VHDXENCLHHGVCJ-UHFFFAOYSA-N 1 1 455.440 4.746 20 30 JJEDMO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC001449271993 1066994434 /nfs/dbraw/zinc/99/44/34/1066994434.db2.gz ZESZXSIWNCATJD-RBUKOAKNSA-N 1 1 458.430 4.875 20 30 JJEDMO CC[C@@H](c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545736936 1067001313 /nfs/dbraw/zinc/00/13/13/1067001313.db2.gz XPEKLKFOOBOUDC-AOHZBQACSA-N 1 1 478.685 4.838 20 30 JJEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC001458294517 1067023601 /nfs/dbraw/zinc/02/36/01/1067023601.db2.gz DDIIFJVXFRFQAD-UHFFFAOYSA-N 1 1 453.306 4.835 20 30 JJEDMO N#C[C@@H](CCc1ccccc1)C(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001450138970 1067053197 /nfs/dbraw/zinc/05/31/97/1067053197.db2.gz HXJUKRJJMHQNNO-IZLXSDGUSA-N 1 1 452.602 4.847 20 30 JJEDMO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1OC ZINC001451103717 1067146155 /nfs/dbraw/zinc/14/61/55/1067146155.db2.gz DFGGPBMPANHUKF-LOSJGSFVSA-N 1 1 460.549 4.797 20 30 JJEDMO C[C@H]1C[C@H](N(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@H+]1Cc1ccccc1 ZINC001459606850 1067361782 /nfs/dbraw/zinc/36/17/82/1067361782.db2.gz WLYQJOCGQHIGPJ-PZJWPPBQSA-N 1 1 450.652 4.812 20 30 JJEDMO CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC1CCN(c2ccccn2)CC1 ZINC001459676658 1067380538 /nfs/dbraw/zinc/38/05/38/1067380538.db2.gz XSUUCCIHRJXYCS-FQEVSTJZSA-N 1 1 451.640 4.510 20 30 JJEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@H](C)[N@@H+](Cc4ccccc4)C[C@@H]3C)sc2C1 ZINC001459771904 1067415450 /nfs/dbraw/zinc/41/54/50/1067415450.db2.gz OGBNXXDGVXJLHD-AABGKKOBSA-N 1 1 450.652 4.668 20 30 JJEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](C)N(Cc4ccccc4)C[C@@H]3C)sc2C1 ZINC001459771904 1067415454 /nfs/dbraw/zinc/41/54/54/1067415454.db2.gz OGBNXXDGVXJLHD-AABGKKOBSA-N 1 1 450.652 4.668 20 30 JJEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H](C)N(Cc4ccccc4)C[C@@H]3C)sc2C1 ZINC001459771904 1067415460 /nfs/dbraw/zinc/41/54/60/1067415460.db2.gz OGBNXXDGVXJLHD-AABGKKOBSA-N 1 1 450.652 4.668 20 30 JJEDMO COC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1cccc(C(F)(F)F)c1 ZINC001459838400 1067447503 /nfs/dbraw/zinc/44/75/03/1067447503.db2.gz XWUUJMLXXOLICV-BEFAXECRSA-N 1 1 451.514 4.873 20 30 JJEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)CCc2ccc(Cl)cc2)cc1 ZINC001459876254 1067469417 /nfs/dbraw/zinc/46/94/17/1067469417.db2.gz WDZMSYRUSRSKPJ-UHFFFAOYSA-N 1 1 450.970 4.741 20 30 JJEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)CCc2ccc(Cl)cc2)cc1 ZINC001459876254 1067469420 /nfs/dbraw/zinc/46/94/20/1067469420.db2.gz WDZMSYRUSRSKPJ-UHFFFAOYSA-N 1 1 450.970 4.741 20 30 JJEDMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccc(C)cc1Br)C[C@@H]1CCCO1 ZINC001460034070 1067535321 /nfs/dbraw/zinc/53/53/21/1067535321.db2.gz LHYHTPHVAQHJGE-FQEVSTJZSA-N 1 1 459.384 4.698 20 30 JJEDMO COc1cc(C#N)ccc1OCC[N@H+](Cc1ccc(C)cc1Br)C[C@@H]1CCCO1 ZINC001460034070 1067535327 /nfs/dbraw/zinc/53/53/27/1067535327.db2.gz LHYHTPHVAQHJGE-FQEVSTJZSA-N 1 1 459.384 4.698 20 30 JJEDMO CC(C)(C)OC(=O)NCC[N@H+](CCc1ccccc1)Cc1ccc(C#N)cc1Br ZINC001460089404 1067551411 /nfs/dbraw/zinc/55/14/11/1067551411.db2.gz RNPPINVTLLHALR-UHFFFAOYSA-N 1 1 458.400 4.890 20 30 JJEDMO CC(C)(C)OC(=O)NCC[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cc1Br ZINC001460089404 1067551415 /nfs/dbraw/zinc/55/14/15/1067551415.db2.gz RNPPINVTLLHALR-UHFFFAOYSA-N 1 1 458.400 4.890 20 30 JJEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCCC[C@H]3Cc3cccc(Br)c3)C2=O)cc1 ZINC001460280458 1067597069 /nfs/dbraw/zinc/59/70/69/1067597069.db2.gz SLXLNEPBHGMPQE-GOTSBHOMSA-N 1 1 452.396 4.913 20 30 JJEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCCC[C@H]3Cc3cccc(Br)c3)C2=O)cc1 ZINC001460280458 1067597075 /nfs/dbraw/zinc/59/70/75/1067597075.db2.gz SLXLNEPBHGMPQE-GOTSBHOMSA-N 1 1 452.396 4.913 20 30 JJEDMO Oc1cccc(Br)c1C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001462623592 1068114899 /nfs/dbraw/zinc/11/48/99/1068114899.db2.gz AGBAMOORVFSROP-DTORHVGOSA-N 1 1 454.155 4.758 20 30 JJEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001463346585 1068366475 /nfs/dbraw/zinc/36/64/75/1068366475.db2.gz BNNPSPHLHDTWOW-LAUBAEHRSA-N 1 1 453.633 4.660 20 30 JJEDMO C=CCC[C@H](C(=O)N1CC[NH+](CCCc2nc(-c3ccc(C)cc3)no2)CC1)c1ccccc1 ZINC001464076321 1068607059 /nfs/dbraw/zinc/60/70/59/1068607059.db2.gz GITALIRUHMYFDW-VWLOTQADSA-N 1 1 458.606 4.872 20 30 JJEDMO CCN(C(=O)c1cccc(CNc2ncccc2C#N)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001464398149 1068731416 /nfs/dbraw/zinc/73/14/16/1068731416.db2.gz IRQAUEURKHMFTI-LVXARBLLSA-N 1 1 453.590 4.863 20 30 JJEDMO Cc1cc(C#N)cc(C)c1CS(=O)(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001464690921 1068826497 /nfs/dbraw/zinc/82/64/97/1068826497.db2.gz QCFFTDIKIMNTSZ-WUFINQPMSA-N 1 1 473.642 4.653 20 30 JJEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)CC2 ZINC001164651682 719317819 /nfs/dbraw/zinc/31/78/19/719317819.db2.gz HMPNLCRNSOWIII-UHFFFAOYSA-N 1 1 485.970 4.615 20 30 JJEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc([C@@H](C#N)c4ccc(C)cc4)nn2)CC3)cs1 ZINC001164693315 719804606 /nfs/dbraw/zinc/80/46/06/719804606.db2.gz RXWJAKMQWSVAKH-QHCPKHFHSA-N 1 1 458.635 4.840 20 30 JJEDMO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695724 719886736 /nfs/dbraw/zinc/88/67/36/719886736.db2.gz SZHUIEHLOITQKO-UHFFFAOYSA-N 1 1 473.376 4.738 20 30 JJEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)CC2 ZINC001164710201 720098478 /nfs/dbraw/zinc/09/84/78/720098478.db2.gz HDYJENPIWMOLKH-RUZDIDTESA-N 1 1 471.580 4.662 20 30 JJEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)CC2 ZINC001164713006 720157415 /nfs/dbraw/zinc/15/74/15/720157415.db2.gz JJTHALCOOPXTGD-HXUWFJFHSA-N 1 1 479.987 4.801 20 30 JJEDMO N#Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2cc(-c3ccccc3)sc21 ZINC001164740179 720831377 /nfs/dbraw/zinc/83/13/77/720831377.db2.gz JKQOZFXEIABVFX-QQKQFIJSSA-N 1 1 495.656 4.806 20 30 JJEDMO N#Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2cc(-c3ccccc3)sc21 ZINC001164740181 720831466 /nfs/dbraw/zinc/83/14/66/720831466.db2.gz JKQOZFXEIABVFX-UMXIMWEHSA-N 1 1 495.656 4.806 20 30 JJEDMO N#Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccc(Cl)cc12 ZINC001164749177 720931030 /nfs/dbraw/zinc/93/10/30/720931030.db2.gz IEADNKZPBNVUSV-QDPGVEIFSA-N 1 1 488.035 4.910 20 30 JJEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@@H]3C2)cn1 ZINC001164762718 721246992 /nfs/dbraw/zinc/24/69/92/721246992.db2.gz LHGAONUOXBDCNJ-RTWAWAEBSA-N 1 1 482.966 4.510 20 30 JJEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)c(C#N)c(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164768950 721250240 /nfs/dbraw/zinc/25/02/40/721250240.db2.gz ZDPHQRXAIHEAOU-HZPDHXFCSA-N 1 1 491.373 4.650 20 30 JJEDMO Cc1ccc([C@@H](C#N)c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164905676 721585236 /nfs/dbraw/zinc/58/52/36/721585236.db2.gz KKHFXOGLXIEJAM-ZEQKJWHPSA-N 1 1 474.559 4.573 20 30 JJEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)[C@H]2CCCO[C@@H]12 ZINC001164804991 721591994 /nfs/dbraw/zinc/59/19/94/721591994.db2.gz JYTFYARPGQGWLE-MIZPHKNDSA-N 1 1 468.388 4.676 20 30 JJEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)[C@H]2CCCO[C@@H]12 ZINC001164804991 721591997 /nfs/dbraw/zinc/59/19/97/721591997.db2.gz JYTFYARPGQGWLE-MIZPHKNDSA-N 1 1 468.388 4.676 20 30 JJEDMO CSc1nc(-c2ccccc2)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164908092 721712721 /nfs/dbraw/zinc/71/27/21/721712721.db2.gz VOCBGNSDDOIJFB-RUZDIDTESA-N 1 1 492.599 4.870 20 30 JJEDMO N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1 ZINC001164912927 721735493 /nfs/dbraw/zinc/73/54/93/721735493.db2.gz RGLNBIMMYYWCPS-XMMPIXPASA-N 1 1 496.949 4.927 20 30 JJEDMO CSc1nc(-c2ccccc2)nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1C#N ZINC001164909522 721757393 /nfs/dbraw/zinc/75/73/93/721757393.db2.gz GROMBPAFRUFVBK-UHFFFAOYSA-N 1 1 482.613 4.920 20 30 JJEDMO CSc1nc(-c2ccccc2)nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1C#N ZINC001164909522 721757397 /nfs/dbraw/zinc/75/73/97/721757397.db2.gz GROMBPAFRUFVBK-UHFFFAOYSA-N 1 1 482.613 4.920 20 30 JJEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1F ZINC001164951597 722018357 /nfs/dbraw/zinc/01/83/57/722018357.db2.gz BJRVXMFFSZQTHE-UHFFFAOYSA-N 1 1 462.960 4.695 20 30 JJEDMO C=CCOC[C@H]1CCC[C@]12CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CCO2 ZINC001164973747 722169506 /nfs/dbraw/zinc/16/95/06/722169506.db2.gz CRKJYFBUZOTRCC-HRFSGMKKSA-N 1 1 482.694 4.744 20 30 JJEDMO CC(C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CCOC1CCCCCC1 ZINC001359712608 1064261496 /nfs/dbraw/zinc/26/14/96/1064261496.db2.gz ZYVDDFWDYUFATK-UHFFFAOYSA-N 1 1 464.658 4.725 20 30 JJEDMO CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001359732482 1064287042 /nfs/dbraw/zinc/28/70/42/1064287042.db2.gz FSBGFLYNICKWKY-HSZRJFAPSA-N 1 1 464.658 4.723 20 30 JJEDMO CC(C)[C@H]1OCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001359762139 1064374345 /nfs/dbraw/zinc/37/43/45/1064374345.db2.gz QKPMBVLDXUGQNH-AZGAKELHSA-N 1 1 478.685 4.512 20 30 JJEDMO CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001359818244 1064501809 /nfs/dbraw/zinc/50/18/09/1064501809.db2.gz XBESKUHZDLIIEH-ZRZAMGCNSA-N 1 1 478.685 4.764 20 30 JJEDMO C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435251040 1064627671 /nfs/dbraw/zinc/62/76/71/1064627671.db2.gz ARFYSNDUBCUPRE-BCHFMIIMSA-N 1 1 459.521 4.509 20 30 JJEDMO C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435251040 1064627674 /nfs/dbraw/zinc/62/76/74/1064627674.db2.gz ARFYSNDUBCUPRE-BCHFMIIMSA-N 1 1 459.521 4.509 20 30 JJEDMO CC(C)CCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCc2sccc2C1 ZINC001359926892 1064660995 /nfs/dbraw/zinc/66/09/95/1064660995.db2.gz GHAVRZGMBGRAEF-UHFFFAOYSA-N 1 1 484.073 4.879 20 30 JJEDMO CC(C)CCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001359951964 1064712379 /nfs/dbraw/zinc/71/23/79/1064712379.db2.gz KJDXMRBYQRCIQQ-UHFFFAOYSA-N 1 1 452.647 4.840 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCCN(c3ccccc3C#N)CC2)C1 ZINC001360009772 1064799477 /nfs/dbraw/zinc/79/94/77/1064799477.db2.gz FLYHPVCTFAEKAF-XMMPIXPASA-N 1 1 491.728 4.823 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001360010646 1064803449 /nfs/dbraw/zinc/80/34/49/1064803449.db2.gz TWKIZJIRQOYVGV-UKILVPOCSA-N 1 1 478.685 4.969 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@@H](C(C)C)C2)C1 ZINC001360011751 1064806507 /nfs/dbraw/zinc/80/65/07/1064806507.db2.gz HSQVVSZHPDTRBB-UKILVPOCSA-N 1 1 496.725 4.675 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C)C(C)(C)C2)C1 ZINC001360012327 1064809157 /nfs/dbraw/zinc/80/91/57/1064809157.db2.gz POCIQACXSMGPJJ-UPVQGACJSA-N 1 1 478.685 4.969 20 30 JJEDMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(CCC#N)CC2CC2)C1 ZINC001360035618 1064841102 /nfs/dbraw/zinc/84/11/02/1064841102.db2.gz OIWRUJUPEDEWGN-FQEVSTJZSA-N 1 1 491.467 4.739 20 30 JJEDMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1)C[C@@H]1CCCCO1 ZINC001435675493 1064928667 /nfs/dbraw/zinc/92/86/67/1064928667.db2.gz WHSMJFOSJWQDNK-NVQXNPDNSA-N 1 1 457.615 4.666 20 30 JJEDMO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001435810316 1065004088 /nfs/dbraw/zinc/00/40/88/1065004088.db2.gz SJBJEJCHWAHHTR-VJGNERBWSA-N 1 1 452.602 4.976 20 30 JJEDMO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001435810315 1065004156 /nfs/dbraw/zinc/00/41/56/1065004156.db2.gz SJBJEJCHWAHHTR-OYUWMTPXSA-N 1 1 452.602 4.976 20 30 JJEDMO CC(C)N(Cc1ccco1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001360142505 1065043280 /nfs/dbraw/zinc/04/32/80/1065043280.db2.gz XVVUGROGHMZFJJ-QHCPKHFHSA-N 1 1 476.625 4.857 20 30 JJEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001436214904 1065257106 /nfs/dbraw/zinc/25/71/06/1065257106.db2.gz WJHJNEUZJLCONN-RRPNLBNLSA-N 1 1 457.622 4.680 20 30 JJEDMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(F)F)CC1 ZINC001360466642 1065379489 /nfs/dbraw/zinc/37/94/89/1065379489.db2.gz NQKQIOKQEMGZDH-QGZVFWFLSA-N 1 1 456.566 4.807 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360470702 1065389741 /nfs/dbraw/zinc/38/97/41/1065389741.db2.gz UDVBKOJYNLLNBP-HYBUGGRVSA-N 1 1 476.625 4.976 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001360478716 1065395793 /nfs/dbraw/zinc/39/57/93/1065395793.db2.gz MSBMPROEMYXWID-ZJSXRUAMSA-N 1 1 462.667 4.971 20 30 JJEDMO C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001360483562 1065403670 /nfs/dbraw/zinc/40/36/70/1065403670.db2.gz YVYNFYYIWSRNDB-KZKAQZJJSA-N 1 1 456.679 4.732 20 30 JJEDMO CC(C)(C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1)c1cc(F)cc(C#N)c1 ZINC001436715683 1065428642 /nfs/dbraw/zinc/42/86/42/1065428642.db2.gz APYFCDKWCUNSHI-UHFFFAOYSA-N 1 1 458.375 4.518 20 30 JJEDMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001360744008 1065780925 /nfs/dbraw/zinc/78/09/25/1065780925.db2.gz MVLCIUUFVYPVCM-SFTDATJTSA-N 1 1 468.621 4.952 20 30 JJEDMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(CC#N)CC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001360744006 1065781026 /nfs/dbraw/zinc/78/10/26/1065781026.db2.gz MVLCIUUFVYPVCM-NHCUHLMSSA-N 1 1 468.621 4.952 20 30 JJEDMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360758288 1065824291 /nfs/dbraw/zinc/82/42/91/1065824291.db2.gz PXLZIDGOMUMCDQ-IQOKHDRSSA-N 1 1 475.012 4.634 20 30 JJEDMO CC1=C(Br)CN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001360851677 1065965599 /nfs/dbraw/zinc/96/55/99/1065965599.db2.gz PGUDVQICGCGVCC-UHFFFAOYSA-N 1 1 483.458 4.960 20 30 JJEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(-c4ccccc4C(F)(F)F)on3)CC2)cc1 ZINC001440736845 1065973287 /nfs/dbraw/zinc/97/32/87/1065973287.db2.gz FVABDFNVPIXUPE-UHFFFAOYSA-N 1 1 454.452 4.580 20 30 JJEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(-c4ccccc4C(F)(F)F)on3)CC2)cc1 ZINC001440736845 1065973302 /nfs/dbraw/zinc/97/33/02/1065973302.db2.gz FVABDFNVPIXUPE-UHFFFAOYSA-N 1 1 454.452 4.580 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360866212 1065988047 /nfs/dbraw/zinc/98/80/47/1065988047.db2.gz OPYHMZUGHFCGIU-WRHDZBKDSA-N 1 1 482.673 4.519 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360866212 1065988053 /nfs/dbraw/zinc/98/80/53/1065988053.db2.gz OPYHMZUGHFCGIU-WRHDZBKDSA-N 1 1 482.673 4.519 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC001360866209 1065988269 /nfs/dbraw/zinc/98/82/69/1065988269.db2.gz OPYHMZUGHFCGIU-KTDPBYDISA-N 1 1 482.673 4.519 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[N@H+]2CCC[C@@H](C)C2)c1C ZINC001360874662 1066014902 /nfs/dbraw/zinc/01/49/02/1066014902.db2.gz NUQONMPEIJPAIF-SZEHJLNQSA-N 1 1 464.658 4.897 20 30 JJEDMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@H+]2CCC[C@@H]2C)c1C ZINC001360874699 1066015079 /nfs/dbraw/zinc/01/50/79/1066015079.db2.gz TUWJIOKUTLUYKC-UNMCSNQZSA-N 1 1 450.631 4.649 20 30 JJEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cccc(CNc4ncccc4C#N)c3)cc2)C1 ZINC001441357412 1066032947 /nfs/dbraw/zinc/03/29/47/1066032947.db2.gz SXHXDEOPOTVCGL-NRFANRHFSA-N 1 1 453.590 4.727 20 30 JJEDMO Cc1occc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001360949836 1066107567 /nfs/dbraw/zinc/10/75/67/1066107567.db2.gz VDXBGVRNHRDBNR-FQEVSTJZSA-N 1 1 476.625 4.777 20 30 JJEDMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001360986701 1066154187 /nfs/dbraw/zinc/15/41/87/1066154187.db2.gz JZGLGEVSQKOEJM-DBVUQKKJSA-N 1 1 482.032 4.743 20 30 JJEDMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001360987167 1066157407 /nfs/dbraw/zinc/15/74/07/1066157407.db2.gz UGRNLVUQIVVPOI-XUVXKRRUSA-N 1 1 482.032 4.886 20 30 JJEDMO Cc1cc(-c2nnc(N(CCC#N)CCC(C)C)n2CC(C)(C)[NH+]2CCOCC2)c2ccccc2n1 ZINC001361049127 1066280273 /nfs/dbraw/zinc/28/02/73/1066280273.db2.gz UQPJGYUBQBWEBZ-UHFFFAOYSA-N 1 1 489.668 4.679 20 30 JJEDMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(C)(C#N)CC2)n1CC[N@H+](C)C(C)C ZINC001361089538 1066336130 /nfs/dbraw/zinc/33/61/30/1066336130.db2.gz WXQWJXGENKPBHH-UHFFFAOYSA-N 1 1 473.065 4.722 20 30 JJEDMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361130282 1066394906 /nfs/dbraw/zinc/39/49/06/1066394906.db2.gz LJSJCRJNJMGUKA-DHIUTWEWSA-N 1 1 494.684 4.528 20 30 JJEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC001444180997 1066426902 /nfs/dbraw/zinc/42/69/02/1066426902.db2.gz YBPSBFOJVPMWCJ-RTWAWAEBSA-N 1 1 457.062 4.931 20 30 JJEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC001444180771 1066426999 /nfs/dbraw/zinc/42/69/99/1066426999.db2.gz YBPSBFOJVPMWCJ-LEWJYISDSA-N 1 1 457.062 4.931 20 30 JJEDMO Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)cc1Br ZINC001361205387 1066536944 /nfs/dbraw/zinc/53/69/44/1066536944.db2.gz IIKUATMOAGNAGG-JPYJTQIMSA-N 1 1 489.437 4.578 20 30 JJEDMO Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)cc1Br ZINC001361205568 1066537026 /nfs/dbraw/zinc/53/70/26/1066537026.db2.gz LUXSQHWQDYUHFF-WMZHIEFXSA-N 1 1 489.437 4.578 20 30 JJEDMO N#CCn1c(C(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc2ccccc21 ZINC001361220139 1066557320 /nfs/dbraw/zinc/55/73/20/1066557320.db2.gz GFCJOSVOYKIUTJ-HXUWFJFHSA-N 1 1 454.496 4.691 20 30 JJEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001456480571 1066594618 /nfs/dbraw/zinc/59/46/18/1066594618.db2.gz AYNBSPVIJYAUMJ-HXUWFJFHSA-N 1 1 451.014 4.551 20 30 JJEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001456480571 1066594627 /nfs/dbraw/zinc/59/46/27/1066594627.db2.gz AYNBSPVIJYAUMJ-HXUWFJFHSA-N 1 1 451.014 4.551 20 30 JJEDMO Cc1cnc([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC001492630192 1066703388 /nfs/dbraw/zinc/70/33/88/1066703388.db2.gz PMTJLZZFGNZMEJ-LJQANCHMSA-N 1 1 477.682 4.942 20 30 JJEDMO CC[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457538809 1066855192 /nfs/dbraw/zinc/85/51/92/1066855192.db2.gz IPDSIOYEWJDNAW-SVBPBHIXSA-N 1 1 455.558 4.760 20 30 JJEDMO CC[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457538809 1066855201 /nfs/dbraw/zinc/85/52/01/1066855201.db2.gz IPDSIOYEWJDNAW-SVBPBHIXSA-N 1 1 455.558 4.760 20 30 JJEDMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@@H](C)C#N)cn1 ZINC001492703732 1066861705 /nfs/dbraw/zinc/86/17/05/1066861705.db2.gz FLPRBEKMACYJGK-HNNXBMFYSA-N 1 1 481.391 4.785 20 30 JJEDMO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC001449271998 1066994891 /nfs/dbraw/zinc/99/48/91/1066994891.db2.gz ZESZXSIWNCATJD-RTBURBONSA-N 1 1 458.430 4.875 20 30 JJEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC001458347499 1067037805 /nfs/dbraw/zinc/03/78/05/1067037805.db2.gz HQIXYCYHZMAIRU-DHLKQENFSA-N 1 1 455.606 4.721 20 30 JJEDMO C#CC[N@@H+](C)CCCNC(=O)CCc1c2cccc(Br)c2[nH]c1-c1ccccc1 ZINC001450484549 1067084446 /nfs/dbraw/zinc/08/44/46/1067084446.db2.gz GPKHNFGZOIIIPX-UHFFFAOYSA-N 1 1 452.396 4.601 20 30 JJEDMO CCC(CC)[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)OC ZINC001545798456 1067100690 /nfs/dbraw/zinc/10/06/90/1067100690.db2.gz LILTXBHFNXAXBZ-XMMPIXPASA-N 1 1 466.674 4.969 20 30 JJEDMO CCC#C[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CC[N@@H+](CC)C3 ZINC001458857528 1067175036 /nfs/dbraw/zinc/17/50/36/1067175036.db2.gz ABBMMSGMGVSPIJ-MRXNPFEDSA-N 1 1 453.633 4.728 20 30 JJEDMO CCC#C[C@@H](C)Sc1nc2sc3c(c2c(=O)n1-c1cccc(OC)c1)CC[N@H+](CC)C3 ZINC001458857528 1067175039 /nfs/dbraw/zinc/17/50/39/1067175039.db2.gz ABBMMSGMGVSPIJ-MRXNPFEDSA-N 1 1 453.633 4.728 20 30 JJEDMO C[NH+](C)Cc1ccc(NC(=O)c2occc2COc2cccc(C#N)c2)cc1Br ZINC001459078032 1067246969 /nfs/dbraw/zinc/24/69/69/1067246969.db2.gz UWVZFSISVFIDSR-UHFFFAOYSA-N 1 1 454.324 4.807 20 30 JJEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C#N ZINC001459341281 1067298437 /nfs/dbraw/zinc/29/84/37/1067298437.db2.gz CICUUITYVVSQEM-UHFFFAOYSA-N 1 1 459.550 4.782 20 30 JJEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1C#N ZINC001459341281 1067298447 /nfs/dbraw/zinc/29/84/47/1067298447.db2.gz CICUUITYVVSQEM-UHFFFAOYSA-N 1 1 459.550 4.782 20 30 JJEDMO C#CC[N@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001459505739 1067340230 /nfs/dbraw/zinc/34/02/30/1067340230.db2.gz DHEAREMVIDGGME-MOPGFXCFSA-N 1 1 454.286 4.960 20 30 JJEDMO CN(Cc1ccccc1)C(=O)N1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC001459716458 1067393935 /nfs/dbraw/zinc/39/39/35/1067393935.db2.gz KPSXBHFYUSVEOF-UHFFFAOYSA-N 1 1 452.602 4.756 20 30 JJEDMO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c2ccccc2)cc1 ZINC001459818516 1067437705 /nfs/dbraw/zinc/43/77/05/1067437705.db2.gz KRHIIYNBFVYZKL-HHHXNRCGSA-N 1 1 459.615 4.941 20 30 JJEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC001459924835 1067493800 /nfs/dbraw/zinc/49/38/00/1067493800.db2.gz REHIYTVYAZURQS-SFHVURJKSA-N 1 1 456.384 4.628 20 30 JJEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001460015273 1067528379 /nfs/dbraw/zinc/52/83/79/1067528379.db2.gz IVEOKMQUYZEZBW-VXKWHMMOSA-N 1 1 456.631 4.565 20 30 JJEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CCCC1(C)C ZINC001460030812 1067534062 /nfs/dbraw/zinc/53/40/62/1067534062.db2.gz PYNROZHYNGUNOL-HSZRJFAPSA-N 1 1 455.624 4.517 20 30 JJEDMO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC001460045113 1067537921 /nfs/dbraw/zinc/53/79/21/1067537921.db2.gz BAJZQCLCGXYTML-IBGZPJMESA-N 1 1 451.785 4.858 20 30 JJEDMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CC[C@H]1c1ccc(F)cc1 ZINC001460207060 1067579068 /nfs/dbraw/zinc/57/90/68/1067579068.db2.gz HUZRBDQUHAOYLY-BJKOFHAPSA-N 1 1 453.558 4.849 20 30 JJEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)cc1C ZINC001460248820 1067591090 /nfs/dbraw/zinc/59/10/90/1067591090.db2.gz DEDVYWIOOWVRKE-UHFFFAOYSA-N 1 1 455.606 4.865 20 30 JJEDMO COc1cc(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC001460254362 1067591981 /nfs/dbraw/zinc/59/19/81/1067591981.db2.gz FGVYKVUQQDHBDX-WMZHIEFXSA-N 1 1 450.579 4.946 20 30 JJEDMO C[C@@H]([NH2+][C@H](C)c1cc(F)c(Br)cc1F)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001460445278 1067636227 /nfs/dbraw/zinc/63/62/27/1067636227.db2.gz JJQSSXFBOROMEQ-NXEZZACHSA-N 1 1 454.340 4.827 20 30 JJEDMO C=CCN(C(=O)C[N@H+]1C2CCC1(CO)CC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460821325 1067729598 /nfs/dbraw/zinc/72/95/98/1067729598.db2.gz XHDDCGVDJNTGBF-UHFFFAOYSA-N 1 1 452.407 4.625 20 30 JJEDMO C=CCN(C(=O)C[N@@H+]1C2CCC1(CO)CC2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001460821325 1067729606 /nfs/dbraw/zinc/72/96/06/1067729606.db2.gz XHDDCGVDJNTGBF-UHFFFAOYSA-N 1 1 452.407 4.625 20 30 JJEDMO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cccnc1Oc1cccc(OC)c1 ZINC001461231449 1067805500 /nfs/dbraw/zinc/80/55/00/1067805500.db2.gz JSUXGRKOZUTJEZ-UHFFFAOYSA-N 1 1 453.336 4.947 20 30 JJEDMO C=CCOc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1OC ZINC001461256615 1067811386 /nfs/dbraw/zinc/81/13/86/1067811386.db2.gz MQCIMFYYPYDDJY-VWLOTQADSA-N 1 1 455.551 4.682 20 30 JJEDMO C[N@H+](CCN(Cc1ccccc1)S(=O)(=O)c1cccc(C#N)c1Cl)Cc1ccccc1 ZINC001463217703 1068323614 /nfs/dbraw/zinc/32/36/14/1068323614.db2.gz YEKFCRKWCYCHMV-UHFFFAOYSA-N 1 1 453.995 4.535 20 30 JJEDMO C[N@@H+](CCN(Cc1ccccc1)S(=O)(=O)c1cccc(C#N)c1Cl)Cc1ccccc1 ZINC001463217703 1068323626 /nfs/dbraw/zinc/32/36/26/1068323626.db2.gz YEKFCRKWCYCHMV-UHFFFAOYSA-N 1 1 453.995 4.535 20 30 JJEDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cccc(COc4ccccc4C#N)c3)cc2)CC1 ZINC001464130990 1068627221 /nfs/dbraw/zinc/62/72/21/1068627221.db2.gz NROOGACVCLBRBB-UHFFFAOYSA-N 1 1 454.574 4.527 20 30 JJEDMO N#Cc1c(Cl)nc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1C(F)(F)F ZINC001164622461 719113021 /nfs/dbraw/zinc/11/30/21/719113021.db2.gz CAZNZGXWROLRJS-GDBMZVCRSA-N 1 1 471.861 4.666 20 30 JJEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CC2 ZINC001164714041 720158846 /nfs/dbraw/zinc/15/88/46/720158846.db2.gz NSVKNKFLCIIUCA-GOSISDBHSA-N 1 1 497.977 4.941 20 30 JJEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753717 720908519 /nfs/dbraw/zinc/90/85/19/720908519.db2.gz SEBIWWZOWPRZRD-RBISFHTESA-N 1 1 488.035 4.910 20 30 JJEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753718 720908994 /nfs/dbraw/zinc/90/89/94/720908994.db2.gz SEBIWWZOWPRZRD-SKCUWOTOSA-N 1 1 488.035 4.910 20 30 JJEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)[C@H]2C ZINC001164861787 721023597 /nfs/dbraw/zinc/02/35/97/721023597.db2.gz PJOFXZKAVJIAQC-INIZCTEOSA-N 1 1 485.970 4.831 20 30 JJEDMO N#Cc1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164864069 721096511 /nfs/dbraw/zinc/09/65/11/721096511.db2.gz DXKFKABBXXFPOM-XZOQPEGZSA-N 1 1 467.598 4.710 20 30 JJEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@@H]3C2)cn1 ZINC001164759750 721246967 /nfs/dbraw/zinc/24/69/67/721246967.db2.gz BIZXIOOSIDNXGK-SFTDATJTSA-N 1 1 482.966 4.510 20 30 JJEDMO N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)cc2c1Cl ZINC001164787532 721440471 /nfs/dbraw/zinc/44/04/71/721440471.db2.gz XMLFZMOOCIAEDW-CHWSQXEVSA-N 1 1 480.371 4.983 20 30 JJEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164906612 721567739 /nfs/dbraw/zinc/56/77/39/721567739.db2.gz KIEOTSMSPMRTCP-CTNGQTDRSA-N 1 1 499.924 4.695 20 30 JJEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904706 721585344 /nfs/dbraw/zinc/58/53/44/721585344.db2.gz FYHQURATIVPUIC-RUZDIDTESA-N 1 1 463.507 4.892 20 30 JJEDMO Cc1ccc([C@H](C#N)c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164905672 721585544 /nfs/dbraw/zinc/58/55/44/721585544.db2.gz KKHFXOGLXIEJAM-JYFHCDHNSA-N 1 1 474.559 4.573 20 30 JJEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)[C@H]2CCCO[C@H]12 ZINC001164805019 721592135 /nfs/dbraw/zinc/59/21/35/721592135.db2.gz JYTFYARPGQGWLE-MZKRTTBSSA-N 1 1 468.388 4.676 20 30 JJEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)[C@H]2CCCO[C@H]12 ZINC001164805019 721592137 /nfs/dbraw/zinc/59/21/37/721592137.db2.gz JYTFYARPGQGWLE-MZKRTTBSSA-N 1 1 468.388 4.676 20 30 JJEDMO N#Cc1c(Cl)c2ccccc2nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907034 721723525 /nfs/dbraw/zinc/72/35/25/721723525.db2.gz PQVWHVYTDPCKLZ-HSZRJFAPSA-N 1 1 453.924 4.893 20 30 JJEDMO N#Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc2ccc(Cl)cc12 ZINC001164909064 721734132 /nfs/dbraw/zinc/73/41/32/721734132.db2.gz ANZPTDLVXUEGMV-QHCPKHFHSA-N 1 1 453.924 4.893 20 30 JJEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164908874 721745402 /nfs/dbraw/zinc/74/54/02/721745402.db2.gz NCEWBXOEEPQSNP-UHFFFAOYSA-N 1 1 478.330 4.988 20 30 JJEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164908874 721745411 /nfs/dbraw/zinc/74/54/11/721745411.db2.gz NCEWBXOEEPQSNP-UHFFFAOYSA-N 1 1 478.330 4.988 20 30 JJEDMO CSc1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N ZINC001165027826 721817274 /nfs/dbraw/zinc/81/72/74/721817274.db2.gz VYYRGADTSQXHOI-ZTCOLXNVSA-N 1 1 470.646 4.869 20 30 JJEDMO C=CCOC[C@H]1CCC[C@]12CN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)CCO2 ZINC001164976136 722168966 /nfs/dbraw/zinc/16/89/66/722168966.db2.gz JTWBBWYLRLKKHP-RLWLMLJZSA-N 1 1 470.683 4.872 20 30 JJEDMO C=CCOC[C@H]1CCC[C@@]12CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CCO2 ZINC001164973748 722169300 /nfs/dbraw/zinc/16/93/00/722169300.db2.gz CRKJYFBUZOTRCC-NFQMXDRXSA-N 1 1 482.694 4.744 20 30 JJEDMO C=CCOC[C@H]1CCC[C@]12CN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)CCO2 ZINC001164976178 722169732 /nfs/dbraw/zinc/16/97/32/722169732.db2.gz KEIWZGYDTGSRTO-ZBLYBZFDSA-N 1 1 478.662 4.998 20 30 JJEDMO C#CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)cc1 ZINC001434878039 1064311009 /nfs/dbraw/zinc/31/10/09/1064311009.db2.gz VQFXJQGSSJSITG-UHFFFAOYSA-N 1 1 459.977 4.927 20 30 JJEDMO CCCN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001434974485 1064388999 /nfs/dbraw/zinc/38/89/99/1064388999.db2.gz FZWWXKKZOUFGPC-QHCPKHFHSA-N 1 1 454.412 4.766 20 30 JJEDMO CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001359817388 1064499886 /nfs/dbraw/zinc/49/98/86/1064499886.db2.gz CGVZKMBPWDGYRE-VXKWHMMOSA-N 1 1 464.658 4.516 20 30 JJEDMO CC(C)Cc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCSC1(C)C ZINC001359841068 1064527692 /nfs/dbraw/zinc/52/76/92/1064527692.db2.gz AGLQUDAQTZMCJB-HSZRJFAPSA-N 1 1 466.699 4.592 20 30 JJEDMO CC(C)Cc1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1Cc1cc(Br)cs1 ZINC001359859773 1064548156 /nfs/dbraw/zinc/54/81/56/1064548156.db2.gz DNWOHRFICFOJAQ-UHFFFAOYSA-N 1 1 499.482 4.543 20 30 JJEDMO CC(C)Cc1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001359859583 1064548188 /nfs/dbraw/zinc/54/81/88/1064548188.db2.gz ABKUTRRWXDYRBE-VXKWHMMOSA-N 1 1 474.575 4.964 20 30 JJEDMO CC(C)CCN(CCC#N)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001359926525 1064659447 /nfs/dbraw/zinc/65/94/47/1064659447.db2.gz REZBPKNHAORKMN-DEOSSOPVSA-N 1 1 487.073 4.646 20 30 JJEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC001435339082 1064709214 /nfs/dbraw/zinc/70/92/14/1064709214.db2.gz KNOUFYVXPLUYLH-BKMJKUGQSA-N 1 1 455.606 4.721 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@H](C)CC#N)C1 ZINC001360008099 1064795794 /nfs/dbraw/zinc/79/57/94/1064795794.db2.gz KTKPXJUKGWTHRN-MSOLQXFVSA-N 1 1 491.453 4.953 20 30 JJEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC001435567478 1064838722 /nfs/dbraw/zinc/83/87/22/1064838722.db2.gz UVFWTIKZAMRMJD-DLBZAZTESA-N 1 1 450.073 4.960 20 30 JJEDMO CC(C)COCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001360069460 1064914765 /nfs/dbraw/zinc/91/47/65/1064914765.db2.gz KFBYQHXQQLAFOC-OAQYLSRUSA-N 1 1 478.666 4.824 20 30 JJEDMO CC(C)CSCCn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001360087324 1064951936 /nfs/dbraw/zinc/95/19/36/1064951936.db2.gz RAYAFCKOFLJBFB-UHFFFAOYSA-N 1 1 480.707 4.513 20 30 JJEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435749419 1064973119 /nfs/dbraw/zinc/97/31/19/1064973119.db2.gz MXCRRXCOTIJTLJ-DJJJIMSYSA-N 1 1 450.739 4.536 20 30 JJEDMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(C1)CCCCC2 ZINC001360103304 1064983230 /nfs/dbraw/zinc/98/32/30/1064983230.db2.gz GFEXMWMDQKBIMZ-UHFFFAOYSA-N 1 1 450.631 4.620 20 30 JJEDMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCC(C#N)CC2)C1 ZINC001360139832 1065036008 /nfs/dbraw/zinc/03/60/08/1065036008.db2.gz VACCGFKJMXTSJY-LJQANCHMSA-N 1 1 471.447 4.568 20 30 JJEDMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2csc(C(C)(C)C)n2)CC1 ZINC001360144254 1065046153 /nfs/dbraw/zinc/04/61/53/1065046153.db2.gz CRAQAJYQRPYSHH-UHFFFAOYSA-N 1 1 477.682 4.734 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360466374 1065378079 /nfs/dbraw/zinc/37/80/79/1065378079.db2.gz CKHFLZCFNZOANL-APWZRJJASA-N 1 1 459.436 4.566 20 30 JJEDMO C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001360481229 1065400601 /nfs/dbraw/zinc/40/06/01/1065400601.db2.gz MXUGTVKPPUDJRE-JKSUJKDBSA-N 1 1 474.396 4.676 20 30 JJEDMO C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360590208 1065594943 /nfs/dbraw/zinc/59/49/43/1065594943.db2.gz FPYYPGIHKSJQSY-FTBPSBKWSA-N 1 1 478.685 4.847 20 30 JJEDMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)c2cccc(SCC#N)c2)cc1 ZINC001438338269 1065711407 /nfs/dbraw/zinc/71/14/07/1065711407.db2.gz PQPAMJISQJTSFL-IZZNHLLZSA-N 1 1 457.599 4.709 20 30 JJEDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC001360697890 1065739126 /nfs/dbraw/zinc/73/91/26/1065739126.db2.gz RATCONPGIJPULB-OAQYLSRUSA-N 1 1 456.615 4.650 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001360753948 1065801543 /nfs/dbraw/zinc/80/15/43/1065801543.db2.gz LRNNKOQHTMCXNX-FGTMMUONSA-N 1 1 453.978 4.584 20 30 JJEDMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360758287 1065824064 /nfs/dbraw/zinc/82/40/64/1065824064.db2.gz PXLZIDGOMUMCDQ-GERBCZOESA-N 1 1 475.012 4.634 20 30 JJEDMO C[C@@]1(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001439759295 1065871998 /nfs/dbraw/zinc/87/19/98/1065871998.db2.gz YTWRQRJUZFIEPD-WIOPSUGQSA-N 1 1 464.491 4.760 20 30 JJEDMO C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001440736715 1065973429 /nfs/dbraw/zinc/97/34/29/1065973429.db2.gz FAZXHNRFFIGVLB-QHCPKHFHSA-N 1 1 453.586 4.651 20 30 JJEDMO C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001440736715 1065973442 /nfs/dbraw/zinc/97/34/42/1065973442.db2.gz FAZXHNRFFIGVLB-QHCPKHFHSA-N 1 1 453.586 4.651 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)c1C ZINC001360875873 1066019931 /nfs/dbraw/zinc/01/99/31/1066019931.db2.gz ZZRBGLQNMZGUON-PRVBGKCFSA-N 1 1 494.684 4.522 20 30 JJEDMO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001441355174 1066032451 /nfs/dbraw/zinc/03/24/51/1066032451.db2.gz ARQZOQXSPRUVHJ-RXVVDRJESA-N 1 1 450.023 4.713 20 30 JJEDMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001361032169 1066245756 /nfs/dbraw/zinc/24/57/56/1066245756.db2.gz MOWWANIQIVGHKB-WNCULLNHSA-N 1 1 464.658 4.724 20 30 JJEDMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC(CC#N)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001361089519 1066336477 /nfs/dbraw/zinc/33/64/77/1066336477.db2.gz WIULPLBSRUKUGQ-OAQYLSRUSA-N 1 1 485.076 4.866 20 30 JJEDMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001361128136 1066390921 /nfs/dbraw/zinc/39/09/21/1066390921.db2.gz SUXVQESHFAMTQM-CUNXSJBXSA-N 1 1 464.658 4.903 20 30 JJEDMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361130284 1066395151 /nfs/dbraw/zinc/39/51/51/1066395151.db2.gz LJSJCRJNJMGUKA-PKTZIBPZSA-N 1 1 494.684 4.528 20 30 JJEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC001444180986 1066426932 /nfs/dbraw/zinc/42/69/32/1066426932.db2.gz YBPSBFOJVPMWCJ-NHCUHLMSSA-N 1 1 457.062 4.931 20 30 JJEDMO Cc1ccc(C)c(OCc2nnc(N3CCC(C)(C#N)CC3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001361152251 1066446033 /nfs/dbraw/zinc/44/60/33/1066446033.db2.gz JUBUYFDMHQCMBS-ZRZAMGCNSA-N 1 1 478.685 4.972 20 30 JJEDMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361155957 1066456975 /nfs/dbraw/zinc/45/69/75/1066456975.db2.gz JPYHJQGFTKFDEX-MRCUYLHHSA-N 1 1 464.658 4.724 20 30 JJEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)COc2ccc(C#N)c(Br)c2)c1 ZINC001456047068 1066491563 /nfs/dbraw/zinc/49/15/63/1066491563.db2.gz JZVQPKWCZLUFSJ-UHFFFAOYSA-N 1 1 453.340 4.706 20 30 JJEDMO C[N@@H+](CCN(Cc1ccccc1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1)Cc1ccccc1 ZINC001361278788 1066636643 /nfs/dbraw/zinc/63/66/43/1066636643.db2.gz HHTCVIPZNBYNTE-UHFFFAOYSA-N 1 1 452.480 4.746 20 30 JJEDMO CCC[N@H+](CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1)Cc1ccc(C#N)cc1 ZINC001459313241 1067291081 /nfs/dbraw/zinc/29/10/81/1067291081.db2.gz UMMRCBOZDCMEDA-UHFFFAOYSA-N 1 1 450.564 4.550 20 30 JJEDMO CCC[N@@H+](CC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1)Cc1ccc(C#N)cc1 ZINC001459313241 1067291087 /nfs/dbraw/zinc/29/10/87/1067291087.db2.gz UMMRCBOZDCMEDA-UHFFFAOYSA-N 1 1 450.564 4.550 20 30 JJEDMO CN(C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001459452408 1067326929 /nfs/dbraw/zinc/32/69/29/1067326929.db2.gz UKFXMZLMUYYUGF-MUUNZHRXSA-N 1 1 457.549 4.789 20 30 JJEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@H]1CCN(Cc2ccccc2)C1 ZINC001459905196 1067482415 /nfs/dbraw/zinc/48/24/15/1067482415.db2.gz YYXUEUIZGKOPIQ-FPOVZHCZSA-N 1 1 450.652 4.670 20 30 JJEDMO CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001459905196 1067482420 /nfs/dbraw/zinc/48/24/20/1067482420.db2.gz YYXUEUIZGKOPIQ-FPOVZHCZSA-N 1 1 450.652 4.670 20 30 JJEDMO CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001459905196 1067482424 /nfs/dbraw/zinc/48/24/24/1067482424.db2.gz YYXUEUIZGKOPIQ-FPOVZHCZSA-N 1 1 450.652 4.670 20 30 JJEDMO COc1cc(C[N@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC001460003360 1067522766 /nfs/dbraw/zinc/52/27/66/1067522766.db2.gz FSSZAZSTPQCYTJ-NRFANRHFSA-N 1 1 457.574 4.797 20 30 JJEDMO COc1cc(C[N@@H+](C)CC(=O)N(C)[C@@H](C)c2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC001460003360 1067522772 /nfs/dbraw/zinc/52/27/72/1067522772.db2.gz FSSZAZSTPQCYTJ-NRFANRHFSA-N 1 1 457.574 4.797 20 30 JJEDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1c1ccccc1 ZINC001460300638 1067601799 /nfs/dbraw/zinc/60/17/99/1067601799.db2.gz HCBGNYPUQSEOSB-LEWJYISDSA-N 1 1 453.970 4.598 20 30 JJEDMO CC(C)(C)OC(=O)N1CCC([N@@H+](CCCOc2ccc(C#N)cc2)Cc2ccccn2)CC1 ZINC001460303730 1067603341 /nfs/dbraw/zinc/60/33/41/1067603341.db2.gz GQKDYQRLVNATAH-UHFFFAOYSA-N 1 1 450.583 4.624 20 30 JJEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001460313727 1067605349 /nfs/dbraw/zinc/60/53/49/1067605349.db2.gz FMYXYEUXHWFLLO-MWRHLSOJSA-N 1 1 450.671 4.684 20 30 JJEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCCNC(=O)OC(C)(C)C)c1C ZINC001460461281 1067638498 /nfs/dbraw/zinc/63/84/98/1067638498.db2.gz XDOPCTLYCTUJTE-FYYLOGMGSA-N 1 1 470.658 4.956 20 30 JJEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001460776317 1067721677 /nfs/dbraw/zinc/72/16/77/1067721677.db2.gz VUMGTIFCWBRNDT-GUDVDZBRSA-N 1 1 460.644 4.502 20 30 JJEDMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001460858287 1067735934 /nfs/dbraw/zinc/73/59/34/1067735934.db2.gz KFFCDLJYAULTBQ-OAQYLSRUSA-N 1 1 456.384 4.730 20 30 JJEDMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001460858287 1067735941 /nfs/dbraw/zinc/73/59/41/1067735941.db2.gz KFFCDLJYAULTBQ-OAQYLSRUSA-N 1 1 456.384 4.730 20 30 JJEDMO CCC1(CC)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CCS1 ZINC001546121088 1067771014 /nfs/dbraw/zinc/77/10/14/1067771014.db2.gz KPSWDJXLTJZRAK-QHCPKHFHSA-N 1 1 496.725 4.961 20 30 JJEDMO CCCOc1nc2ccccc2cc1/C=C\C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001463835973 1068541589 /nfs/dbraw/zinc/54/15/89/1068541589.db2.gz GZECLOBHLHPJRU-SEYXRHQNSA-N 1 1 454.574 4.643 20 30 JJEDMO C=CC1(CC(=O)N(CCC)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CN(C(=O)OC(C)(C)C)C1 ZINC001464671975 1068819869 /nfs/dbraw/zinc/81/98/69/1068819869.db2.gz CVKGHFYCTAOHPJ-QHCPKHFHSA-N 1 1 455.643 4.703 20 30 JJEDMO N#Cc1c(Cl)nc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1C(F)(F)F ZINC001164622488 719112927 /nfs/dbraw/zinc/11/29/27/719112927.db2.gz CAZNZGXWROLRJS-GOEBONIOSA-N 1 1 471.861 4.666 20 30 JJEDMO COc1cc(C(F)(F)N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c(C#N)c(Cl)n1 ZINC001164694471 719810137 /nfs/dbraw/zinc/81/01/37/719810137.db2.gz YOPSZWJRLOGTOR-UHFFFAOYSA-N 1 1 467.973 4.560 20 30 JJEDMO COc1cc(C(F)(F)N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c(C#N)c(Cl)n1 ZINC001164694471 719810140 /nfs/dbraw/zinc/81/01/40/719810140.db2.gz YOPSZWJRLOGTOR-UHFFFAOYSA-N 1 1 467.973 4.560 20 30 JJEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3c(Cl)c1C#N)CC2 ZINC001164710861 720138859 /nfs/dbraw/zinc/13/88/59/720138859.db2.gz FDSLHBQDYLDTQH-HXUWFJFHSA-N 1 1 461.997 4.662 20 30 JJEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(C#N)c(Cl)nc3cccc(C)c31)CC2 ZINC001164714049 720159498 /nfs/dbraw/zinc/15/94/98/720159498.db2.gz NUXBXOCTTBSROZ-NRFANRHFSA-N 1 1 476.024 4.971 20 30 JJEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164843277 720653498 /nfs/dbraw/zinc/65/34/98/720653498.db2.gz VTVNZENOCHNTGF-XGHQBKJUSA-N 1 1 469.420 4.988 20 30 JJEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)CC[C@@H]21 ZINC001164839851 720653704 /nfs/dbraw/zinc/65/37/04/720653704.db2.gz KHNQGNBLLCYPJI-WCJKSRRJSA-N 1 1 470.955 4.612 20 30 JJEDMO Cc1ccc([C@H](C#N)c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164844255 720664538 /nfs/dbraw/zinc/66/45/38/720664538.db2.gz ZLKYQALIXQPMEA-FTJBHMTQSA-N 1 1 467.617 4.700 20 30 JJEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C[C@H]3C2)cn1 ZINC001164763292 721143662 /nfs/dbraw/zinc/14/36/62/721143662.db2.gz FASRWQVVNIMUTC-IFMALSPDSA-N 1 1 454.603 4.527 20 30 JJEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)cc1 ZINC001164870850 721194729 /nfs/dbraw/zinc/19/47/29/721194729.db2.gz WQHNWEQMCMYNPS-GOTSBHOMSA-N 1 1 495.961 4.693 20 30 JJEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164870849 721194808 /nfs/dbraw/zinc/19/48/08/721194808.db2.gz WQHNWEQMCMYNPS-DHIUTWEWSA-N 1 1 495.961 4.693 20 30 JJEDMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)CC2 ZINC001164876874 721327554 /nfs/dbraw/zinc/32/75/54/721327554.db2.gz REOKUTCPQZXXEI-UHFFFAOYSA-N 1 1 454.308 4.593 20 30 JJEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)CC2 ZINC001164791729 721473990 /nfs/dbraw/zinc/47/39/90/721473990.db2.gz YBYBVQLJCABLEJ-FQEVSTJZSA-N 1 1 487.019 4.633 20 30 JJEDMO CSc1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165027819 721817217 /nfs/dbraw/zinc/81/72/17/721817217.db2.gz VYYRGADTSQXHOI-OYDLWJJNSA-N 1 1 470.646 4.869 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@@H]21 ZINC001165029057 721825173 /nfs/dbraw/zinc/82/51/73/721825173.db2.gz WSGBAYMJDSNRBO-SAAIGDAKSA-N 1 1 467.617 4.859 20 30 JJEDMO CC(C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001359712472 1064261056 /nfs/dbraw/zinc/26/10/56/1064261056.db2.gz UGJHWJIYQBQWTN-LOSJGSFVSA-N 1 1 478.685 4.827 20 30 JJEDMO CC(C)c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1CCc1csc(C(C)(C)C)n1 ZINC001359719540 1064266698 /nfs/dbraw/zinc/26/66/98/1064266698.db2.gz PAQHVNJQSZLUHZ-UHFFFAOYSA-N 1 1 477.682 4.592 20 30 JJEDMO CC(C)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001359732483 1064287096 /nfs/dbraw/zinc/28/70/96/1064287096.db2.gz FSBGFLYNICKWKY-QHCPKHFHSA-N 1 1 464.658 4.723 20 30 JJEDMO CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359817389 1064499971 /nfs/dbraw/zinc/49/99/71/1064499971.db2.gz CGVZKMBPWDGYRE-YADHBBJMSA-N 1 1 464.658 4.516 20 30 JJEDMO CN(C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001435188233 1064577412 /nfs/dbraw/zinc/57/74/12/1064577412.db2.gz BZNPLBMHPQKNFP-HSZRJFAPSA-N 1 1 452.558 4.644 20 30 JJEDMO CC(C)CCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001359926529 1064659340 /nfs/dbraw/zinc/65/93/40/1064659340.db2.gz RHXPNZVRWMSJNQ-DEOSSOPVSA-N 1 1 466.674 4.633 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCSC(C)(C)C2)C1 ZINC001360010911 1064805216 /nfs/dbraw/zinc/80/52/16/1064805216.db2.gz YAXBSMCCFFHOPN-OAQYLSRUSA-N 1 1 452.672 4.517 20 30 JJEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC001435567479 1064838687 /nfs/dbraw/zinc/83/86/87/1064838687.db2.gz UVFWTIKZAMRMJD-IAGOWNOFSA-N 1 1 450.073 4.960 20 30 JJEDMO CC(C)COCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001360069458 1064914898 /nfs/dbraw/zinc/91/48/98/1064914898.db2.gz KFBYQHXQQLAFOC-NRFANRHFSA-N 1 1 478.666 4.824 20 30 JJEDMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1)C[C@H]1CCCCO1 ZINC001435675491 1064928561 /nfs/dbraw/zinc/92/85/61/1064928561.db2.gz WHSMJFOSJWQDNK-GJZUVCINSA-N 1 1 457.615 4.666 20 30 JJEDMO CC(C)[N@@H+](C)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC(C)(C#N)CC1 ZINC001360106692 1064987974 /nfs/dbraw/zinc/98/79/74/1064987974.db2.gz NMSNQLJBVBDPHW-UHFFFAOYSA-N 1 1 462.598 4.587 20 30 JJEDMO N#Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1Br ZINC001436211306 1065254211 /nfs/dbraw/zinc/25/42/11/1065254211.db2.gz GKJHBULEEPMION-LJQANCHMSA-N 1 1 452.274 4.714 20 30 JJEDMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC001436428940 1065317133 /nfs/dbraw/zinc/31/71/33/1065317133.db2.gz BTBMSVMKQUZGKX-AREMUKBSSA-N 1 1 455.606 4.549 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001360470885 1065389805 /nfs/dbraw/zinc/38/98/05/1065389805.db2.gz WRKPYRYRCNHOOB-JZWVFAODSA-N 1 1 459.623 4.700 20 30 JJEDMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C#N)CC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001360741525 1065775539 /nfs/dbraw/zinc/77/55/39/1065775539.db2.gz PZWDAUHPHVKISF-VQTJNVASSA-N 1 1 454.594 4.562 20 30 JJEDMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360775506 1065878233 /nfs/dbraw/zinc/87/82/33/1065878233.db2.gz VPGDQBCIJFYDPB-NHZRIVAWSA-N 1 1 468.621 4.808 20 30 JJEDMO CC(=O)c1ccc(Nc2ccccc2C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC001440739656 1065974013 /nfs/dbraw/zinc/97/40/13/1065974013.db2.gz LGASHHXYTKSMLS-UHFFFAOYSA-N 1 1 452.558 4.853 20 30 JJEDMO CC(=O)c1ccc(Nc2ccccc2C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC001440739656 1065974027 /nfs/dbraw/zinc/97/40/27/1065974027.db2.gz LGASHHXYTKSMLS-UHFFFAOYSA-N 1 1 452.558 4.853 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@H+]2CCC[C@@H]2C)c1C ZINC001360874696 1066014970 /nfs/dbraw/zinc/01/49/70/1066014970.db2.gz TUWJIOKUTLUYKC-RBBKRZOGSA-N 1 1 450.631 4.649 20 30 JJEDMO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001441355176 1066032623 /nfs/dbraw/zinc/03/26/23/1066032623.db2.gz ARQZOQXSPRUVHJ-WIYYLYMNSA-N 1 1 450.023 4.713 20 30 JJEDMO Cc1cc(C)cc(OCc2nnc(N3CCC(C#N)CC3)n2CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001361027303 1066229545 /nfs/dbraw/zinc/22/95/45/1066229545.db2.gz AWWHFNRERPAXPN-HSZRJFAPSA-N 1 1 464.658 4.869 20 30 JJEDMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001361088275 1066329983 /nfs/dbraw/zinc/32/99/83/1066329983.db2.gz HEOIOTFLEISAPX-FQRUVTKNSA-N 1 1 485.076 4.864 20 30 JJEDMO Cc1ccc(C(C)C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001361123319 1066373561 /nfs/dbraw/zinc/37/35/61/1066373561.db2.gz XISUXDCHKRQUJX-YADHBBJMSA-N 1 1 452.647 4.759 20 30 JJEDMO C[N@@H+]1CC[C@H](NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)[C@H]1c1ccc(F)cc1 ZINC001446196852 1066674840 /nfs/dbraw/zinc/67/48/40/1066674840.db2.gz RAORRTSOVUTFSK-JTHBVZDNSA-N 1 1 454.977 4.519 20 30 JJEDMO C[N@H+]1CC[C@H](NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)[C@H]1c1ccc(F)cc1 ZINC001446196852 1066674850 /nfs/dbraw/zinc/67/48/50/1066674850.db2.gz RAORRTSOVUTFSK-JTHBVZDNSA-N 1 1 454.977 4.519 20 30 JJEDMO CC[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457538808 1066855115 /nfs/dbraw/zinc/85/51/15/1066855115.db2.gz IPDSIOYEWJDNAW-RRPNLBNLSA-N 1 1 455.558 4.760 20 30 JJEDMO CC[C@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457538808 1066855125 /nfs/dbraw/zinc/85/51/25/1066855125.db2.gz IPDSIOYEWJDNAW-RRPNLBNLSA-N 1 1 455.558 4.760 20 30 JJEDMO CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC001448829437 1066960348 /nfs/dbraw/zinc/96/03/48/1066960348.db2.gz LEUBAMIBYSTMAR-ZRJLEYOISA-N 1 1 479.068 4.843 20 30 JJEDMO N#Cc1cnc(N2CC[NH+](Cc3ccc(-c4cccc(Br)c4)s3)CC2)c(F)c1 ZINC001458094983 1066973830 /nfs/dbraw/zinc/97/38/30/1066973830.db2.gz VFKHHNGYVGUNOA-UHFFFAOYSA-N 1 1 457.372 4.906 20 30 JJEDMO C=CC[C@@]1(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)CCCN1C(=O)OC(C)(C)C ZINC001449228552 1066991249 /nfs/dbraw/zinc/99/12/49/1066991249.db2.gz NJFWLQLTWVSCJS-RLWLMLJZSA-N 1 1 453.583 4.573 20 30 JJEDMO C[N@@H+](CCOc1cccc(CNc2cc(C(F)(F)F)c(F)cc2C#N)c1)C1CCOCC1 ZINC001458157819 1066992308 /nfs/dbraw/zinc/99/23/08/1066992308.db2.gz RFCYTAGKRXTWJX-UHFFFAOYSA-N 1 1 451.464 4.818 20 30 JJEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC001458347529 1067038402 /nfs/dbraw/zinc/03/84/02/1067038402.db2.gz HQIXYCYHZMAIRU-WIOPSUGQSA-N 1 1 455.606 4.721 20 30 JJEDMO Cc1cc(Cl)cc(C#N)c1OCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001459140798 1067259106 /nfs/dbraw/zinc/25/91/06/1067259106.db2.gz QWASVHKZWQZUMZ-UHFFFAOYSA-N 1 1 459.977 4.833 20 30 JJEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCc4c(Br)cccc4C3)sc2C1 ZINC001459422787 1067321062 /nfs/dbraw/zinc/32/10/62/1067321062.db2.gz XBCPZNBQLYTFAY-AWEZNQCLSA-N 1 1 458.425 4.894 20 30 JJEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCc4c(Br)cccc4C3)sc2C1 ZINC001459422787 1067321078 /nfs/dbraw/zinc/32/10/78/1067321078.db2.gz XBCPZNBQLYTFAY-AWEZNQCLSA-N 1 1 458.425 4.894 20 30 JJEDMO CCc1ccc([C@H](NC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c2cccs2)cc1 ZINC001459440364 1067325495 /nfs/dbraw/zinc/32/54/95/1067325495.db2.gz SJNVLSSIDPLMTP-MHZLTWQESA-N 1 1 458.631 4.600 20 30 JJEDMO CCc1ccc([C@H](NC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)c2cccs2)cc1 ZINC001459440364 1067325511 /nfs/dbraw/zinc/32/55/11/1067325511.db2.gz SJNVLSSIDPLMTP-MHZLTWQESA-N 1 1 458.631 4.600 20 30 JJEDMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001459668155 1067377533 /nfs/dbraw/zinc/37/75/33/1067377533.db2.gz HGSZVVCMVUBUHP-GOSISDBHSA-N 1 1 457.521 4.662 20 30 JJEDMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001459668155 1067377544 /nfs/dbraw/zinc/37/75/44/1067377544.db2.gz HGSZVVCMVUBUHP-GOSISDBHSA-N 1 1 457.521 4.662 20 30 JJEDMO COC(=O)c1cccc(C[NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)c1C#N ZINC001459697801 1067387314 /nfs/dbraw/zinc/38/73/14/1067387314.db2.gz YRYHGDZRKWEQBF-UHFFFAOYSA-N 1 1 456.542 4.719 20 30 JJEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)CCC2 ZINC001459707254 1067389732 /nfs/dbraw/zinc/38/97/32/1067389732.db2.gz IFSJLNXYPCHFPA-NRFANRHFSA-N 1 1 451.571 4.818 20 30 JJEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)CCC2 ZINC001459707254 1067389744 /nfs/dbraw/zinc/38/97/44/1067389744.db2.gz IFSJLNXYPCHFPA-NRFANRHFSA-N 1 1 451.571 4.818 20 30 JJEDMO C=CCOc1ccc(C[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C(C)(C)C)cc1 ZINC001459747467 1067404526 /nfs/dbraw/zinc/40/45/26/1067404526.db2.gz NODWWMNJKBEDHL-UHFFFAOYSA-N 1 1 451.611 4.717 20 30 JJEDMO COC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 ZINC001459838421 1067447579 /nfs/dbraw/zinc/44/75/79/1067447579.db2.gz XWUUJMLXXOLICV-KXBFYZLASA-N 1 1 451.514 4.873 20 30 JJEDMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459894772 1067477265 /nfs/dbraw/zinc/47/72/65/1067477265.db2.gz XTGDHWAOPZMGPG-QZNHQXDQSA-N 1 1 456.631 4.564 20 30 JJEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1C#N ZINC001459997839 1067520296 /nfs/dbraw/zinc/52/02/96/1067520296.db2.gz YIVVAIVQLMRPQY-FQEVSTJZSA-N 1 1 453.656 4.861 20 30 JJEDMO COc1cc(C[N@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC001460003362 1067522742 /nfs/dbraw/zinc/52/27/42/1067522742.db2.gz FSSZAZSTPQCYTJ-OAQYLSRUSA-N 1 1 457.574 4.797 20 30 JJEDMO COc1cc(C[N@@H+](C)CC(=O)N(C)[C@H](C)c2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC001460003362 1067522747 /nfs/dbraw/zinc/52/27/47/1067522747.db2.gz FSSZAZSTPQCYTJ-OAQYLSRUSA-N 1 1 457.574 4.797 20 30 JJEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)sc2c1CCC2 ZINC001460139399 1067563154 /nfs/dbraw/zinc/56/31/54/1067563154.db2.gz LJLPGVCLERYAPJ-MRXNPFEDSA-N 1 1 458.425 4.764 20 30 JJEDMO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC001460211593 1067580487 /nfs/dbraw/zinc/58/04/87/1067580487.db2.gz GWSVEIGHUVTDQE-SFTDATJTSA-N 1 1 451.571 4.610 20 30 JJEDMO CN(C(=O)C[NH+]1CCC(Nc2ccccc2C#N)CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001460546869 1067654235 /nfs/dbraw/zinc/65/42/35/1067654235.db2.gz QYICZXRNYKCJLK-MUUNZHRXSA-N 1 1 456.565 4.822 20 30 JJEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC001460572728 1067658579 /nfs/dbraw/zinc/65/85/79/1067658579.db2.gz GLDUPFFDEMXLTR-KBXCAEBGSA-N 1 1 452.407 4.897 20 30 JJEDMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC001460727023 1067710681 /nfs/dbraw/zinc/71/06/81/1067710681.db2.gz DFSPOZPUSXSJLD-CVDCTZTESA-N 1 1 454.615 4.785 20 30 JJEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc(C(F)(F)F)ccc3Br)C2=O)cc1 ZINC001461436025 1067856390 /nfs/dbraw/zinc/85/63/90/1067856390.db2.gz ZSGIBZWKNYBSJL-GOSISDBHSA-N 1 1 452.274 4.625 20 30 JJEDMO CCN(C(=O)c1cccc(CNc2ncccc2C#N)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001464398141 1068731365 /nfs/dbraw/zinc/73/13/65/1068731365.db2.gz IRQAUEURKHMFTI-HFZDXXHNSA-N 1 1 453.590 4.863 20 30 JJEDMO N#Cc1c(Cl)nc(C(F)(F)N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1C(F)(F)F ZINC001164622501 719113439 /nfs/dbraw/zinc/11/34/39/719113439.db2.gz CAZNZGXWROLRJS-ZBFHGGJFSA-N 1 1 471.861 4.666 20 30 JJEDMO CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730950 720417269 /nfs/dbraw/zinc/41/72/69/720417269.db2.gz KALHUEUNRWDDRC-ZEQRLZLVSA-N 1 1 475.713 4.543 20 30 JJEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)CC[C@@H]21 ZINC001164839830 720653609 /nfs/dbraw/zinc/65/36/09/720653609.db2.gz KHNQGNBLLCYPJI-VVBPWWLESA-N 1 1 470.955 4.612 20 30 JJEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)CC[C@@H]21 ZINC001164843275 720653678 /nfs/dbraw/zinc/65/36/78/720653678.db2.gz VTVNZENOCHNTGF-WWMYMODYSA-N 1 1 469.420 4.988 20 30 JJEDMO CSc1nc(-c2ccccc2)nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164839711 720699690 /nfs/dbraw/zinc/69/96/90/720699690.db2.gz BLELCIXFGXONMB-HSZRJFAPSA-N 1 1 485.657 4.997 20 30 JJEDMO CCCc1cc(C#N)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164749567 720894359 /nfs/dbraw/zinc/89/43/59/720894359.db2.gz AIEBTXBQDUKDBV-IGKIAQTJSA-N 1 1 480.056 4.709 20 30 JJEDMO CCCc1cc(C#N)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164749586 720894706 /nfs/dbraw/zinc/89/47/06/720894706.db2.gz AIEBTXBQDUKDBV-RPLLCQBOSA-N 1 1 480.056 4.709 20 30 JJEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164751409 720911877 /nfs/dbraw/zinc/91/18/77/720911877.db2.gz MHGMGLAFFQKKKP-CUBQBAPOSA-N 1 1 485.657 4.832 20 30 JJEDMO N#Cc1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164864068 721096131 /nfs/dbraw/zinc/09/61/31/721096131.db2.gz DXKFKABBXXFPOM-PKTZIBPZSA-N 1 1 467.598 4.710 20 30 JJEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164870592 721195749 /nfs/dbraw/zinc/19/57/49/721195749.db2.gz VUOCAAQZZCMMJO-XZOQPEGZSA-N 1 1 495.961 4.693 20 30 JJEDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164886631 721415556 /nfs/dbraw/zinc/41/55/56/721415556.db2.gz KIANHEYOZYEOFH-QDPGVEIFSA-N 1 1 487.673 4.600 20 30 JJEDMO N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)cnc2Cl)c1 ZINC001164787612 721439559 /nfs/dbraw/zinc/43/95/59/721439559.db2.gz XUAMCFCUKWIWHA-ROUUACIJSA-N 1 1 471.964 4.843 20 30 JJEDMO N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)cc2c1Cl ZINC001164787529 721440106 /nfs/dbraw/zinc/44/01/06/721440106.db2.gz XMLFZMOOCIAEDW-BETUJISGSA-N 1 1 480.371 4.983 20 30 JJEDMO N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)cc2c1Cl ZINC001164787529 721440109 /nfs/dbraw/zinc/44/01/09/721440109.db2.gz XMLFZMOOCIAEDW-BETUJISGSA-N 1 1 480.371 4.983 20 30 JJEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164795489 721497186 /nfs/dbraw/zinc/49/71/86/721497186.db2.gz IXZYDUQKMZOGFY-QHCPKHFHSA-N 1 1 456.569 4.547 20 30 JJEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164904711 721567847 /nfs/dbraw/zinc/56/78/47/721567847.db2.gz FJBGCJCCTHXSNU-TZIWHRDSSA-N 1 1 499.924 4.695 20 30 JJEDMO N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1 ZINC001164912924 721735220 /nfs/dbraw/zinc/73/52/20/721735220.db2.gz RGLNBIMMYYWCPS-DEOSSOPVSA-N 1 1 496.949 4.927 20 30 JJEDMO N#Cc1cccc(Oc2nc(Cl)ncc2N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164911202 721735403 /nfs/dbraw/zinc/73/54/03/721735403.db2.gz IQPBETIVMNCPRT-DEOSSOPVSA-N 1 1 496.949 4.927 20 30 JJEDMO CC1(C)CCCc2cc(C#N)c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164912636 721737343 /nfs/dbraw/zinc/73/73/43/721737343.db2.gz OZPORAQMXWCNPV-VWLOTQADSA-N 1 1 451.565 4.700 20 30 JJEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)C2 ZINC001164909973 721745341 /nfs/dbraw/zinc/74/53/41/721745341.db2.gz VVSJJIHZAMTSBH-UHFFFAOYSA-N 1 1 453.521 4.942 20 30 JJEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)C2 ZINC001164909973 721745350 /nfs/dbraw/zinc/74/53/50/721745350.db2.gz VVSJJIHZAMTSBH-UHFFFAOYSA-N 1 1 453.521 4.942 20 30 JJEDMO Cc1ccc([C@H](C#N)c2ccc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)cc1 ZINC001165026589 721802271 /nfs/dbraw/zinc/80/22/71/721802271.db2.gz RJBHIQOKUPGPKS-UQBYDPJISA-N 1 1 452.606 4.572 20 30 JJEDMO Cc1ccc([C@H](C#N)c2ccc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)nn2)cc1 ZINC001165026591 721802392 /nfs/dbraw/zinc/80/23/92/721802392.db2.gz RJBHIQOKUPGPKS-WVAUJHLCSA-N 1 1 452.606 4.572 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@H]21 ZINC001165029056 721824975 /nfs/dbraw/zinc/82/49/75/721824975.db2.gz WSGBAYMJDSNRBO-RYRVMRHHSA-N 1 1 467.617 4.859 20 30 JJEDMO COc1cccc(OC)c1C[NH+]1CCC(N(C)C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC1 ZINC001165022269 721838258 /nfs/dbraw/zinc/83/82/58/721838258.db2.gz QSMSEWGXFORRSJ-UHFFFAOYSA-N 1 1 485.362 4.923 20 30 JJEDMO N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001164962033 722024497 /nfs/dbraw/zinc/02/44/97/722024497.db2.gz OJIUKYMGTUXLMR-UHFFFAOYSA-N 1 1 460.969 4.681 20 30 JJEDMO N#Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164975679 722122692 /nfs/dbraw/zinc/12/26/92/722122692.db2.gz KGACOUQFWGKANO-WIOPSUGQSA-N 1 1 481.625 4.957 20 30 JJEDMO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972643 722159505 /nfs/dbraw/zinc/15/95/05/722159505.db2.gz IUYFYOKYZHVSIV-LAUBAEHRSA-N 1 1 468.388 4.536 20 30 JJEDMO C=CCOC[C@@H]1CCC[C@@]12CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)CCO2 ZINC001164973745 722169358 /nfs/dbraw/zinc/16/93/58/722169358.db2.gz CRKJYFBUZOTRCC-CCLHPLFOSA-N 1 1 482.694 4.744 20 30 JJEDMO CCCN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001434974453 1064388829 /nfs/dbraw/zinc/38/88/29/1064388829.db2.gz FZWWXKKZOUFGPC-HSZRJFAPSA-N 1 1 454.412 4.766 20 30 JJEDMO CC(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001359795991 1064455440 /nfs/dbraw/zinc/45/54/40/1064455440.db2.gz RPMFHNJKJOJNLG-SZPZYZBQSA-N 1 1 476.669 4.530 20 30 JJEDMO CC(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001359901870 1064612522 /nfs/dbraw/zinc/61/25/22/1064612522.db2.gz DRFDUBBEVYOKCT-SZPZYZBQSA-N 1 1 464.658 4.579 20 30 JJEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC001435336413 1064707596 /nfs/dbraw/zinc/70/75/96/1064707596.db2.gz AKKJIGATXFUCBQ-DNVCBOLYSA-N 1 1 450.073 4.865 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(C(C)C)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC001360008316 1064797356 /nfs/dbraw/zinc/79/73/56/1064797356.db2.gz PINDIMVUGFZFHD-QHCPKHFHSA-N 1 1 464.658 4.689 20 30 JJEDMO CC(C)C[N@H+]1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(Cc2cccs2)C(C)C)C1 ZINC001360036158 1064844399 /nfs/dbraw/zinc/84/43/99/1064844399.db2.gz UPPIXQDPNCJPEG-QHCPKHFHSA-N 1 1 478.666 4.650 20 30 JJEDMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1)C[C@H]1CCCCO1 ZINC001435675475 1064928002 /nfs/dbraw/zinc/92/80/02/1064928002.db2.gz WHSMJFOSJWQDNK-ATIYNZHBSA-N 1 1 457.615 4.666 20 30 JJEDMO CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001360092769 1064964196 /nfs/dbraw/zinc/96/41/96/1064964196.db2.gz SANHIJDQQOXZJX-UHFFFAOYSA-N 1 1 497.569 4.835 20 30 JJEDMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(Br)cs2)CC1 ZINC001360144344 1065045895 /nfs/dbraw/zinc/04/58/95/1065045895.db2.gz FLDGOXAAQBDDEF-UHFFFAOYSA-N 1 1 485.455 4.610 20 30 JJEDMO CC(C)OCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001360377145 1065238083 /nfs/dbraw/zinc/23/80/83/1065238083.db2.gz YOXXABLHDRVRKC-OAQYLSRUSA-N 1 1 478.666 4.967 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001360478710 1065395924 /nfs/dbraw/zinc/39/59/24/1065395924.db2.gz MSBMPROEMYXWID-QPPBQGQZSA-N 1 1 462.667 4.971 20 30 JJEDMO C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(Br)cs1)[N@@H+](C)C1CC1 ZINC001360541760 1065529886 /nfs/dbraw/zinc/52/98/86/1065529886.db2.gz NPOFDBCYLWNHNU-OAHLLOKOSA-N 1 1 485.455 4.760 20 30 JJEDMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1 ZINC001438595164 1065734644 /nfs/dbraw/zinc/73/46/44/1065734644.db2.gz PXKWPGYQBVQOAH-AREMUKBSSA-N 1 1 455.558 4.598 20 30 JJEDMO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1 ZINC001438595164 1065734660 /nfs/dbraw/zinc/73/46/60/1065734660.db2.gz PXKWPGYQBVQOAH-AREMUKBSSA-N 1 1 455.558 4.598 20 30 JJEDMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F ZINC001439272937 1065808636 /nfs/dbraw/zinc/80/86/36/1065808636.db2.gz MPSVLTHLCJCPQV-CZUORRHYSA-N 1 1 452.345 4.776 20 30 JJEDMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F ZINC001439272937 1065808648 /nfs/dbraw/zinc/80/86/48/1065808648.db2.gz MPSVLTHLCJCPQV-CZUORRHYSA-N 1 1 452.345 4.776 20 30 JJEDMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001360758662 1065825781 /nfs/dbraw/zinc/82/57/81/1065825781.db2.gz UNRVYOGLULKAJW-YDIMBITNSA-N 1 1 457.022 4.686 20 30 JJEDMO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360775505 1065878168 /nfs/dbraw/zinc/87/81/68/1065878168.db2.gz VPGDQBCIJFYDPB-NDIWIEOSSA-N 1 1 468.621 4.808 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[N@H+]2CCCO[C@H](C)C2)c1C ZINC001360873589 1066009852 /nfs/dbraw/zinc/00/98/52/1066009852.db2.gz GPXLRNKSAKTXSE-MBEZDYHHSA-N 1 1 494.684 4.666 20 30 JJEDMO C=CC1(CC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CN(C(=O)OC(C)(C)C)C1 ZINC001441479399 1066045500 /nfs/dbraw/zinc/04/55/00/1066045500.db2.gz KGUCDZFOBYZQEQ-OYRHEFFESA-N 1 1 455.643 4.594 20 30 JJEDMO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001361087239 1066325637 /nfs/dbraw/zinc/32/56/37/1066325637.db2.gz DDSBVGBJPAXWSQ-AUSIDOKSSA-N 1 1 487.092 4.968 20 30 JJEDMO C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C1([NH+]2CCOCC2)CCCC1 ZINC001443999162 1066392900 /nfs/dbraw/zinc/39/29/00/1066392900.db2.gz QBAOZNWPHIMUDB-SFHVURJKSA-N 1 1 453.970 4.767 20 30 JJEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC001444181008 1066426964 /nfs/dbraw/zinc/42/69/64/1066426964.db2.gz YBPSBFOJVPMWCJ-SFTDATJTSA-N 1 1 457.062 4.931 20 30 JJEDMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001361155958 1066456896 /nfs/dbraw/zinc/45/68/96/1066456896.db2.gz JPYHJQGFTKFDEX-VBANMALSSA-N 1 1 464.658 4.724 20 30 JJEDMO N#CCn1c(C(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)cc2ccccc21 ZINC001361220138 1066556700 /nfs/dbraw/zinc/55/67/00/1066556700.db2.gz GFCJOSVOYKIUTJ-FQEVSTJZSA-N 1 1 454.496 4.691 20 30 JJEDMO Cc1nc(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001492665291 1066786292 /nfs/dbraw/zinc/78/62/92/1066786292.db2.gz CUHQVWDKHXYMFT-OYRHEFFESA-N 1 1 491.709 4.900 20 30 JJEDMO Cc1[nH+]ccn1-c1ccc(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)C[C@H](C)C#N)cn1 ZINC001492703740 1066861714 /nfs/dbraw/zinc/86/17/14/1066861714.db2.gz FLPRBEKMACYJGK-OAHLLOKOSA-N 1 1 481.391 4.785 20 30 JJEDMO CCC(CC)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1)OC ZINC001545772830 1067062419 /nfs/dbraw/zinc/06/24/19/1067062419.db2.gz NLLVRPTTXNLURU-UHFFFAOYSA-N 1 1 452.647 4.579 20 30 JJEDMO CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)SC ZINC001545783807 1067079158 /nfs/dbraw/zinc/07/91/58/1067079158.db2.gz CQDPNAXXWLKTBD-DEOSSOPVSA-N 1 1 496.725 4.678 20 30 JJEDMO CCC(CC)c1cc(Cn2c(C(C)C)nnc2N2CC[NH+](Cc3ccc(C#N)cc3)CC2)on1 ZINC001545822004 1067162388 /nfs/dbraw/zinc/16/23/88/1067162388.db2.gz QTQSOTPNZREGDI-UHFFFAOYSA-N 1 1 461.614 4.535 20 30 JJEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCc4c(Br)cccc4C3)sc2C1 ZINC001459422789 1067321513 /nfs/dbraw/zinc/32/15/13/1067321513.db2.gz XBCPZNBQLYTFAY-CQSZACIVSA-N 1 1 458.425 4.894 20 30 JJEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCc4c(Br)cccc4C3)sc2C1 ZINC001459422789 1067321525 /nfs/dbraw/zinc/32/15/25/1067321525.db2.gz XBCPZNBQLYTFAY-CQSZACIVSA-N 1 1 458.425 4.894 20 30 JJEDMO CCc1ccc([C@@H](NC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c2cccs2)cc1 ZINC001459440354 1067325361 /nfs/dbraw/zinc/32/53/61/1067325361.db2.gz SJNVLSSIDPLMTP-HHHXNRCGSA-N 1 1 458.631 4.600 20 30 JJEDMO CCc1ccc([C@@H](NC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)c2cccs2)cc1 ZINC001459440354 1067325376 /nfs/dbraw/zinc/32/53/76/1067325376.db2.gz SJNVLSSIDPLMTP-HHHXNRCGSA-N 1 1 458.631 4.600 20 30 JJEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c1 ZINC001459501861 1067339639 /nfs/dbraw/zinc/33/96/39/1067339639.db2.gz JPKSKOICHSOQJF-UHFFFAOYSA-N 1 1 457.509 4.728 20 30 JJEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)CC2(c3ccc(Br)cc3)CC2)c1C ZINC001459533388 1067347108 /nfs/dbraw/zinc/34/71/08/1067347108.db2.gz ZDCIUKWVTFIDAL-UHFFFAOYSA-N 1 1 454.412 4.976 20 30 JJEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)CC2(c3ccc(Br)cc3)CC2)c1C ZINC001459533388 1067347116 /nfs/dbraw/zinc/34/71/16/1067347116.db2.gz ZDCIUKWVTFIDAL-UHFFFAOYSA-N 1 1 454.412 4.976 20 30 JJEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H](C)[N@@H+](Cc4ccccc4)C[C@@H]3C)sc2C1 ZINC001459771910 1067415511 /nfs/dbraw/zinc/41/55/11/1067415511.db2.gz OGBNXXDGVXJLHD-HSALFYBXSA-N 1 1 450.652 4.668 20 30 JJEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](C)N(Cc4ccccc4)C[C@@H]3C)sc2C1 ZINC001459771910 1067415517 /nfs/dbraw/zinc/41/55/17/1067415517.db2.gz OGBNXXDGVXJLHD-HSALFYBXSA-N 1 1 450.652 4.668 20 30 JJEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@@H](C)N(Cc4ccccc4)C[C@@H]3C)sc2C1 ZINC001459771910 1067415521 /nfs/dbraw/zinc/41/55/21/1067415521.db2.gz OGBNXXDGVXJLHD-HSALFYBXSA-N 1 1 450.652 4.668 20 30 JJEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC001459801621 1067430261 /nfs/dbraw/zinc/43/02/61/1067430261.db2.gz KDABIRGNRNHJGX-UHFFFAOYSA-N 1 1 455.484 4.723 20 30 JJEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001459823973 1067440219 /nfs/dbraw/zinc/44/02/19/1067440219.db2.gz GCRURSYIVFKVFB-HNNXBMFYSA-N 1 1 451.518 4.572 20 30 JJEDMO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(C(F)(F)F)c1 ZINC001459838415 1067447542 /nfs/dbraw/zinc/44/75/42/1067447542.db2.gz XWUUJMLXXOLICV-HNAYVOBHSA-N 1 1 451.514 4.873 20 30 JJEDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459894775 1067477312 /nfs/dbraw/zinc/47/73/12/1067477312.db2.gz XTGDHWAOPZMGPG-XPNTWCBSSA-N 1 1 456.631 4.564 20 30 JJEDMO C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC001460016172 1067528879 /nfs/dbraw/zinc/52/88/79/1067528879.db2.gz SDSZEZTYNQYRPH-HXUWFJFHSA-N 1 1 453.892 4.527 20 30 JJEDMO C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC001460016172 1067528890 /nfs/dbraw/zinc/52/88/90/1067528890.db2.gz SDSZEZTYNQYRPH-HXUWFJFHSA-N 1 1 453.892 4.527 20 30 JJEDMO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC001460045115 1067537832 /nfs/dbraw/zinc/53/78/32/1067537832.db2.gz BAJZQCLCGXYTML-LJQANCHMSA-N 1 1 451.785 4.858 20 30 JJEDMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001460146655 1067564431 /nfs/dbraw/zinc/56/44/31/1067564431.db2.gz UWYASFLYDQYCLE-XMMPIXPASA-N 1 1 453.030 4.815 20 30 JJEDMO CC(C)(C)Oc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1C#N ZINC001460246645 1067590813 /nfs/dbraw/zinc/59/08/13/1067590813.db2.gz VRAHRSBLCJAOAP-LOSJGSFVSA-N 1 1 454.574 4.985 20 30 JJEDMO CN(C(=O)C[NH+]1CCC(Nc2ccccc2C#N)CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001460546886 1067654396 /nfs/dbraw/zinc/65/43/96/1067654396.db2.gz QYICZXRNYKCJLK-NDEPHWFRSA-N 1 1 456.565 4.822 20 30 JJEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001460611849 1067671764 /nfs/dbraw/zinc/67/17/64/1067671764.db2.gz UBIDXFFSCCYHQR-FCHUYYIVSA-N 1 1 456.631 4.708 20 30 JJEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001460611849 1067671776 /nfs/dbraw/zinc/67/17/76/1067671776.db2.gz UBIDXFFSCCYHQR-FCHUYYIVSA-N 1 1 456.631 4.708 20 30 JJEDMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC001460727028 1067710721 /nfs/dbraw/zinc/71/07/21/1067710721.db2.gz DFSPOZPUSXSJLD-XXBNENTESA-N 1 1 454.615 4.785 20 30 JJEDMO C#CCNC(=O)CC[N@H+](C)Cc1ccc(Br)cc1Oc1ccc(F)c(Cl)c1 ZINC001460743108 1067713690 /nfs/dbraw/zinc/71/36/90/1067713690.db2.gz HKSIYGNRRNUHDO-UHFFFAOYSA-N 1 1 453.739 4.605 20 30 JJEDMO CCN(C(=O)c1cccc(CNc2ncccc2C#N)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001464398163 1068731514 /nfs/dbraw/zinc/73/15/14/1068731514.db2.gz IRQAUEURKHMFTI-RLWLMLJZSA-N 1 1 453.590 4.863 20 30 JJEDMO C=CCN1C(=O)CC[C@@]12CCCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)[C@@H]2CC ZINC001164704546 719823460 /nfs/dbraw/zinc/82/34/60/719823460.db2.gz ZIRUDAIPKIBOFK-FQRUVTKNSA-N 1 1 467.683 4.830 20 30 JJEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(C#N)c(Cl)nc3cccc(C)c31)CC2 ZINC001164714052 720158805 /nfs/dbraw/zinc/15/88/05/720158805.db2.gz NUXBXOCTTBSROZ-OAQYLSRUSA-N 1 1 476.024 4.971 20 30 JJEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccc(C)cc3c(Cl)c1C#N)CC2 ZINC001164715070 720158952 /nfs/dbraw/zinc/15/89/52/720158952.db2.gz SKMBKJRHPAYRJE-NRFANRHFSA-N 1 1 476.024 4.971 20 30 JJEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164839875 720653583 /nfs/dbraw/zinc/65/35/83/720653583.db2.gz KMARIWWRVMWQEM-KGVIQGDOSA-N 1 1 466.992 4.782 20 30 JJEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc([C@@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164842752 720700048 /nfs/dbraw/zinc/70/00/48/720700048.db2.gz NCVDSPBBROGDKV-UPVQGACJSA-N 1 1 471.580 4.531 20 30 JJEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)CC2 ZINC001164841573 720714643 /nfs/dbraw/zinc/71/46/43/720714643.db2.gz UNOMYURREBYZCP-HHHXNRCGSA-N 1 1 482.628 4.987 20 30 JJEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164870585 721195994 /nfs/dbraw/zinc/19/59/94/721195994.db2.gz VUOCAAQZZCMMJO-GOTSBHOMSA-N 1 1 495.961 4.693 20 30 JJEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@H]3C2)cn1 ZINC001164762706 721246716 /nfs/dbraw/zinc/24/67/16/721246716.db2.gz LHGAONUOXBDCNJ-NHCUHLMSSA-N 1 1 482.966 4.510 20 30 JJEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4cc(F)ccc4c(Cl)c3C#N)C2)C1 ZINC001164782421 721376571 /nfs/dbraw/zinc/37/65/71/721376571.db2.gz LPORWJWHFKSUBJ-VWLOTQADSA-N 1 1 483.975 4.623 20 30 JJEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc4cc(F)ccc4c(Cl)c3C#N)C2)C1 ZINC001164782421 721376575 /nfs/dbraw/zinc/37/65/75/721376575.db2.gz LPORWJWHFKSUBJ-VWLOTQADSA-N 1 1 483.975 4.623 20 30 JJEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164886624 721415146 /nfs/dbraw/zinc/41/51/46/721415146.db2.gz KIANHEYOZYEOFH-LXFBAYGMSA-N 1 1 487.673 4.600 20 30 JJEDMO Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C#C[Si](C)(C)C)c1 ZINC001164908089 721717664 /nfs/dbraw/zinc/71/76/64/721717664.db2.gz VNZSDTTYLQZGIT-XMMPIXPASA-N 1 1 454.641 4.752 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)C[C@H]21 ZINC001165027452 721830595 /nfs/dbraw/zinc/83/05/95/721830595.db2.gz SDXYXOFEPXVHBS-UEVCKROQSA-N 1 1 474.996 4.926 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)C[C@H]21 ZINC001165023198 721830700 /nfs/dbraw/zinc/83/07/00/721830700.db2.gz IGTRGCNVQDNBMX-WWPVKYPJSA-N 1 1 474.996 4.926 20 30 JJEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc([C@H](C#N)c5ccc(C)cc5)nn4)CC3)C2)cc1 ZINC001164938818 721920898 /nfs/dbraw/zinc/92/08/98/721920898.db2.gz RVLIJSPOKUCMJO-AREMUKBSSA-N 1 1 467.617 4.620 20 30 JJEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cnc(Cl)nc4Oc4ccc(C#N)cc4)CC3)C2)cc1 ZINC001164946594 721933153 /nfs/dbraw/zinc/93/31/53/721933153.db2.gz ZRZTUKKQKICZLR-UHFFFAOYSA-N 1 1 490.007 4.974 20 30 JJEDMO C=CCOC[C@H]1CCC[C@@]12CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CCO2 ZINC001164980414 722169119 /nfs/dbraw/zinc/16/91/19/722169119.db2.gz XWMLIWNGXDCSRS-NFQMXDRXSA-N 1 1 482.694 4.744 20 30 JJEDMO CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CCS1 ZINC001359747833 1064331240 /nfs/dbraw/zinc/33/12/40/1064331240.db2.gz JTKWWYDEFHAFTG-JOCHJYFZSA-N 1 1 452.672 4.517 20 30 JJEDMO CC(C)CCN(CCC#N)c1nnc(-c2sc3ccccc3c2Cl)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001359926526 1064659482 /nfs/dbraw/zinc/65/94/82/1064659482.db2.gz REZBPKNHAORKMN-XMMPIXPASA-N 1 1 487.073 4.646 20 30 JJEDMO CC(C)CCN(CCC#N)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001359926934 1064660960 /nfs/dbraw/zinc/66/09/60/1064660960.db2.gz HYQRXWSEEBNSSL-IBGZPJMESA-N 1 1 452.006 4.824 20 30 JJEDMO CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC001359992780 1064775060 /nfs/dbraw/zinc/77/50/60/1064775060.db2.gz CIIBDEMKXJRKCJ-YADHBBJMSA-N 1 1 452.647 4.720 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001360007713 1064795854 /nfs/dbraw/zinc/79/58/54/1064795854.db2.gz GIUIQAYMJGDPOX-RBUKOAKNSA-N 1 1 460.573 4.653 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@H](C)CC#N)C1 ZINC001360008100 1064795963 /nfs/dbraw/zinc/79/59/63/1064795963.db2.gz KTKPXJUKGWTHRN-QZTJIDSGSA-N 1 1 491.453 4.953 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C1 ZINC001360010647 1064803535 /nfs/dbraw/zinc/80/35/35/1064803535.db2.gz TWKIZJIRQOYVGV-ZCYQVOJMSA-N 1 1 478.685 4.969 20 30 JJEDMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1)C[C@@H]1CCCCO1 ZINC001435675490 1064927977 /nfs/dbraw/zinc/92/79/77/1064927977.db2.gz WHSMJFOSJWQDNK-BKMJKUGQSA-N 1 1 457.615 4.666 20 30 JJEDMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N(CCC#N)CC2CC2)C1 ZINC001360138840 1065034898 /nfs/dbraw/zinc/03/48/98/1065034898.db2.gz KSSNMEKBSSAYER-HXUWFJFHSA-N 1 1 485.474 4.958 20 30 JJEDMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(CCC#N)CC2CC2)C1 ZINC001360140478 1065037704 /nfs/dbraw/zinc/03/77/04/1065037704.db2.gz FFDFRAALWKSBOY-GOTSBHOMSA-N 1 1 499.704 4.601 20 30 JJEDMO C[C@@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@@](C)(C#N)C1)[N@@H+](C)C1CC1 ZINC001360540942 1065526995 /nfs/dbraw/zinc/52/69/95/1065526995.db2.gz JWHYKLLBECYJGC-NYHFZMIOSA-N 1 1 491.865 4.974 20 30 JJEDMO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C)(C#N)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360740050 1065772922 /nfs/dbraw/zinc/77/29/22/1065772922.db2.gz AZJAFJHBTNUAGM-HXUWFJFHSA-N 1 1 468.621 4.952 20 30 JJEDMO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(C)(C#N)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001360740049 1065773055 /nfs/dbraw/zinc/77/30/55/1065773055.db2.gz AZJAFJHBTNUAGM-FQEVSTJZSA-N 1 1 468.621 4.952 20 30 JJEDMO C[C@@H](CC#N)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H]1CCCn2cc[nH+]c21 ZINC001360753949 1065801164 /nfs/dbraw/zinc/80/11/64/1065801164.db2.gz LRNNKOQHTMCXNX-OKZBNKHCSA-N 1 1 453.978 4.584 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@H+]2CCC[C@H]2C)c1C ZINC001360874692 1066014867 /nfs/dbraw/zinc/01/48/67/1066014867.db2.gz TUWJIOKUTLUYKC-IFMALSPDSA-N 1 1 450.631 4.649 20 30 JJEDMO Cc1cccc(O[C@@H](C)c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@H+]2CCC[C@H]2C)c1C ZINC001360874694 1066015002 /nfs/dbraw/zinc/01/50/02/1066015002.db2.gz TUWJIOKUTLUYKC-IRLDBZIGSA-N 1 1 450.631 4.649 20 30 JJEDMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001360986702 1066154209 /nfs/dbraw/zinc/15/42/09/1066154209.db2.gz JZGLGEVSQKOEJM-NSISKUIASA-N 1 1 482.032 4.743 20 30 JJEDMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001360986700 1066154230 /nfs/dbraw/zinc/15/42/30/1066154230.db2.gz JZGLGEVSQKOEJM-AHRSYUTCSA-N 1 1 482.032 4.743 20 30 JJEDMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001360987165 1066157419 /nfs/dbraw/zinc/15/74/19/1066157419.db2.gz UGRNLVUQIVVPOI-AQNXPRMDSA-N 1 1 482.032 4.886 20 30 JJEDMO Cc1cc(Cl)ccc1OCCCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001361087241 1066325665 /nfs/dbraw/zinc/32/56/65/1066325665.db2.gz DDSBVGBJPAXWSQ-WMZHIEFXSA-N 1 1 487.092 4.968 20 30 JJEDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)C[C@H](C)O1 ZINC001445344741 1066560730 /nfs/dbraw/zinc/56/07/30/1066560730.db2.gz FVZFHKLMIKFTII-OKILXGFUSA-N 1 1 458.418 4.595 20 30 JJEDMO C[N@@H+]1CC[C@H](NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)[C@@H]1c1ccc(F)cc1 ZINC001446196850 1066674186 /nfs/dbraw/zinc/67/41/86/1066674186.db2.gz RAORRTSOVUTFSK-GMAHTHKFSA-N 1 1 454.977 4.519 20 30 JJEDMO C[N@H+]1CC[C@H](NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)[C@@H]1c1ccc(F)cc1 ZINC001446196850 1066674193 /nfs/dbraw/zinc/67/41/93/1066674193.db2.gz RAORRTSOVUTFSK-GMAHTHKFSA-N 1 1 454.977 4.519 20 30 JJEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC001446323663 1066690320 /nfs/dbraw/zinc/69/03/20/1066690320.db2.gz OPGFGPYEBXWXMP-RUZDIDTESA-N 1 1 456.590 4.798 20 30 JJEDMO Cc1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)s1 ZINC001492695496 1066842171 /nfs/dbraw/zinc/84/21/71/1066842171.db2.gz DHFXOQLVUCHGPI-GOSISDBHSA-N 1 1 463.655 4.729 20 30 JJEDMO N#C[C@H](CCc1ccccc1)C(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001450139043 1067052915 /nfs/dbraw/zinc/05/29/15/1067052915.db2.gz HXJUKRJJMHQNNO-NSOVKSMOSA-N 1 1 452.602 4.847 20 30 JJEDMO CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)SC ZINC001545783808 1067079288 /nfs/dbraw/zinc/07/92/88/1067079288.db2.gz CQDPNAXXWLKTBD-XMMPIXPASA-N 1 1 496.725 4.678 20 30 JJEDMO CCC(CC)[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)OC ZINC001545798455 1067100736 /nfs/dbraw/zinc/10/07/36/1067100736.db2.gz LILTXBHFNXAXBZ-DEOSSOPVSA-N 1 1 466.674 4.969 20 30 JJEDMO C=CCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459455074 1067327535 /nfs/dbraw/zinc/32/75/35/1067327535.db2.gz QXHFOWQVSCISDP-AUUYWEPGSA-N 1 1 454.423 4.871 20 30 JJEDMO C=CCN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459455074 1067327548 /nfs/dbraw/zinc/32/75/48/1067327548.db2.gz QXHFOWQVSCISDP-AUUYWEPGSA-N 1 1 454.423 4.871 20 30 JJEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC001459524500 1067344601 /nfs/dbraw/zinc/34/46/01/1067344601.db2.gz GEAPNKWONLOZNV-KRWDZBQOSA-N 1 1 458.375 4.887 20 30 JJEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC001459524503 1067344753 /nfs/dbraw/zinc/34/47/53/1067344753.db2.gz GEAPNKWONLOZNV-QGZVFWFLSA-N 1 1 458.375 4.887 20 30 JJEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001459538565 1067347680 /nfs/dbraw/zinc/34/76/80/1067347680.db2.gz GJHOWQJFGCDVNJ-TUACAJSNSA-N 1 1 452.574 4.569 20 30 JJEDMO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)CCC2 ZINC001459693141 1067385900 /nfs/dbraw/zinc/38/59/00/1067385900.db2.gz FIXAHMVGXXMFPJ-HXUWFJFHSA-N 1 1 451.596 4.585 20 30 JJEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)CCC2 ZINC001459693141 1067385909 /nfs/dbraw/zinc/38/59/09/1067385909.db2.gz FIXAHMVGXXMFPJ-HXUWFJFHSA-N 1 1 451.596 4.585 20 30 JJEDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1(CC)CC ZINC001459748481 1067405040 /nfs/dbraw/zinc/40/50/40/1067405040.db2.gz LNBWSLIBCKIDQD-ZEQRLZLVSA-N 1 1 450.627 4.879 20 30 JJEDMO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1cccc(C(F)(F)F)c1 ZINC001459836662 1067446883 /nfs/dbraw/zinc/44/68/83/1067446883.db2.gz QCODPWSFRZGWLI-HXUWFJFHSA-N 1 1 453.892 4.891 20 30 JJEDMO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCOc2ccc(F)c(Cl)c2)CC1 ZINC001459896245 1067478325 /nfs/dbraw/zinc/47/83/25/1067478325.db2.gz MLWOFUHOBPEMSD-FQEVSTJZSA-N 1 1 452.755 4.503 20 30 JJEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 ZINC001459961030 1067508404 /nfs/dbraw/zinc/50/84/04/1067508404.db2.gz RIMNRNWMMJTZBX-QGZVFWFLSA-N 1 1 450.404 4.634 20 30 JJEDMO COc1cc(C[N@H+]2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC001460254370 1067592292 /nfs/dbraw/zinc/59/22/92/1067592292.db2.gz FGVYKVUQQDHBDX-XXBNENTESA-N 1 1 450.579 4.946 20 30 JJEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCCC[C@H]3Cc3cccc(Br)c3)C2=O)cc1 ZINC001460280470 1067596973 /nfs/dbraw/zinc/59/69/73/1067596973.db2.gz SLXLNEPBHGMPQE-XZOQPEGZSA-N 1 1 452.396 4.913 20 30 JJEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCCC[C@H]3Cc3cccc(Br)c3)C2=O)cc1 ZINC001460280470 1067596979 /nfs/dbraw/zinc/59/69/79/1067596979.db2.gz SLXLNEPBHGMPQE-XZOQPEGZSA-N 1 1 452.396 4.913 20 30 JJEDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001460341394 1067611919 /nfs/dbraw/zinc/61/19/19/1067611919.db2.gz GUIJFGFBGPEECJ-ZCNNSNEGSA-N 1 1 450.652 4.810 20 30 JJEDMO CC(C)(C)OC(=O)NCc1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC001462180353 1068023547 /nfs/dbraw/zinc/02/35/47/1068023547.db2.gz WVBVRVNPFKCSOK-QHCPKHFHSA-N 1 1 455.002 4.747 20 30 JJEDMO C[N@H+](CCN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1C#N)Cc1ccccc1 ZINC001463207199 1068320082 /nfs/dbraw/zinc/32/00/82/1068320082.db2.gz DWTQNWXPYBZICD-UHFFFAOYSA-N 1 1 453.995 4.535 20 30 JJEDMO C[N@@H+](CCN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1C#N)Cc1ccccc1 ZINC001463207199 1068320098 /nfs/dbraw/zinc/32/00/98/1068320098.db2.gz DWTQNWXPYBZICD-UHFFFAOYSA-N 1 1 453.995 4.535 20 30 JJEDMO C=CC[C@@H]1CCCN(S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC001464033755 1068594511 /nfs/dbraw/zinc/59/45/11/1068594511.db2.gz JZTZMIPJRUJBGD-DCEDVJGZSA-N 1 1 459.055 4.926 20 30 JJEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(C#C[Si](C)(C)C)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164650233 719313467 /nfs/dbraw/zinc/31/34/67/719313467.db2.gz AWIMJNRBOZFVMZ-UHFFFAOYSA-N 1 1 494.760 4.697 20 30 JJEDMO Cc1nc(C#Cc2ccnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2)c(C)n1-c1ccc(F)cc1 ZINC001164722600 720384491 /nfs/dbraw/zinc/38/44/91/720384491.db2.gz DPDBYUKMRCPSIA-WDYNHAJCSA-N 1 1 492.602 4.671 20 30 JJEDMO CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730949 720417326 /nfs/dbraw/zinc/41/73/26/720417326.db2.gz KALHUEUNRWDDRC-RPWUZVMVSA-N 1 1 475.713 4.543 20 30 JJEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3c(C#N)c(Cl)nc4cccc(Cl)c43)CC[C@@H]21 ZINC001164843250 720652192 /nfs/dbraw/zinc/65/21/92/720652192.db2.gz VTVNZENOCHNTGF-FIKGOQFSSA-N 1 1 469.420 4.988 20 30 JJEDMO Cc1ccc([C@@H](C#N)c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)cc1 ZINC001164844256 720664168 /nfs/dbraw/zinc/66/41/68/720664168.db2.gz ZLKYQALIXQPMEA-IZZNHLLZSA-N 1 1 467.617 4.700 20 30 JJEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164842749 720698853 /nfs/dbraw/zinc/69/88/53/720698853.db2.gz NCVDSPBBROGDKV-LADGPHEKSA-N 1 1 471.580 4.531 20 30 JJEDMO N#Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c2cc(-c3ccccc3)sc21 ZINC001164740174 720831410 /nfs/dbraw/zinc/83/14/10/720831410.db2.gz JKQOZFXEIABVFX-GZGNHOFSSA-N 1 1 495.656 4.806 20 30 JJEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164748996 720873225 /nfs/dbraw/zinc/87/32/25/720873225.db2.gz GBAWAIHTJJEQAG-PDDLMNHVSA-N 1 1 497.618 4.909 20 30 JJEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)[C@@H]2C ZINC001164861802 721023573 /nfs/dbraw/zinc/02/35/73/721023573.db2.gz PJOFXZKAVJIAQC-MRXNPFEDSA-N 1 1 485.970 4.831 20 30 JJEDMO N#Cc1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164864066 721095477 /nfs/dbraw/zinc/09/54/77/721095477.db2.gz DXKFKABBXXFPOM-GOTSBHOMSA-N 1 1 467.598 4.710 20 30 JJEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)cc1 ZINC001164870852 721196160 /nfs/dbraw/zinc/19/61/60/721196160.db2.gz WQHNWEQMCMYNPS-XZOQPEGZSA-N 1 1 495.961 4.693 20 30 JJEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@H]3C2)cn1 ZINC001164759748 721247402 /nfs/dbraw/zinc/24/74/02/721247402.db2.gz BIZXIOOSIDNXGK-NHCUHLMSSA-N 1 1 482.966 4.510 20 30 JJEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@@H]3C2)cn1 ZINC001164762731 721247796 /nfs/dbraw/zinc/24/77/96/721247796.db2.gz LHGAONUOXBDCNJ-SFTDATJTSA-N 1 1 482.966 4.510 20 30 JJEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccc(C)cc4c(Cl)c3C#N)C2)C1 ZINC001164784603 721376886 /nfs/dbraw/zinc/37/68/86/721376886.db2.gz QTTDWSPXHFHSDP-SANMLTNESA-N 1 1 480.012 4.792 20 30 JJEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccc(C)cc4c(Cl)c3C#N)C2)C1 ZINC001164784603 721376890 /nfs/dbraw/zinc/37/68/90/721376890.db2.gz QTTDWSPXHFHSDP-SANMLTNESA-N 1 1 480.012 4.792 20 30 JJEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164795488 721497446 /nfs/dbraw/zinc/49/74/46/721497446.db2.gz IXZYDUQKMZOGFY-HSZRJFAPSA-N 1 1 456.569 4.547 20 30 JJEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904728 721585728 /nfs/dbraw/zinc/58/57/28/721585728.db2.gz FYHQURATIVPUIC-VWLOTQADSA-N 1 1 463.507 4.892 20 30 JJEDMO N#CCc1ccc(OCc2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2)cc1 ZINC001164909140 721725678 /nfs/dbraw/zinc/72/56/78/721725678.db2.gz CGYDXAQDJMAMEM-MHZLTWQESA-N 1 1 489.570 4.859 20 30 JJEDMO Cc1ccc([C@@H](C#N)c2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nn2)cc1 ZINC001164910026 721745746 /nfs/dbraw/zinc/74/57/46/721745746.db2.gz YNTDYZZZKZPJQT-AREMUKBSSA-N 1 1 464.573 4.623 20 30 JJEDMO Cc1ccc([C@@H](C#N)c2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nn2)cc1 ZINC001164910026 721745758 /nfs/dbraw/zinc/74/57/58/721745758.db2.gz YNTDYZZZKZPJQT-AREMUKBSSA-N 1 1 464.573 4.623 20 30 JJEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)C2 ZINC001164909525 721765820 /nfs/dbraw/zinc/76/58/20/721765820.db2.gz BSTQEFQADXUERY-UHFFFAOYSA-N 1 1 486.963 4.977 20 30 JJEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)C2 ZINC001164909525 721765822 /nfs/dbraw/zinc/76/58/22/721765822.db2.gz BSTQEFQADXUERY-UHFFFAOYSA-N 1 1 486.963 4.977 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)C[C@@H]21 ZINC001165027447 721830415 /nfs/dbraw/zinc/83/04/15/721830415.db2.gz SDXYXOFEPXVHBS-AJSBUHFISA-N 1 1 474.996 4.926 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)C[C@H]21 ZINC001165027462 721830540 /nfs/dbraw/zinc/83/05/40/721830540.db2.gz SDXYXOFEPXVHBS-WWPVKYPJSA-N 1 1 474.996 4.926 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@H]21 ZINC001165027054 721830690 /nfs/dbraw/zinc/83/06/90/721830690.db2.gz RJQNFORNZLSLFQ-KSEOMHKRSA-N 1 1 474.996 4.926 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)C[C@@H]21 ZINC001165027456 721830693 /nfs/dbraw/zinc/83/06/93/721830693.db2.gz SDXYXOFEPXVHBS-WTIAFYNJSA-N 1 1 474.996 4.926 20 30 JJEDMO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164966328 722062778 /nfs/dbraw/zinc/06/27/78/722062778.db2.gz QZIKUJLIGXEHAC-UHFFFAOYSA-N 1 1 482.415 4.927 20 30 JJEDMO COc1cc(C(F)(F)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(C#N)c(Cl)n1 ZINC001164993807 722203647 /nfs/dbraw/zinc/20/36/47/722203647.db2.gz BTVOXOSGLLHLMN-NRFANRHFSA-N 1 1 450.892 4.544 20 30 JJEDMO COc1cc(C(F)(F)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(C#N)c(Cl)n1 ZINC001164993807 722203648 /nfs/dbraw/zinc/20/36/48/722203648.db2.gz BTVOXOSGLLHLMN-NRFANRHFSA-N 1 1 450.892 4.544 20 30 JJEDMO CC(C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001359712050 1064260383 /nfs/dbraw/zinc/26/03/83/1064260383.db2.gz CVNVQJQUDHIUOG-UHFFFAOYSA-N 1 1 497.569 4.642 20 30 JJEDMO CC(C)CCN(CCC#N)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC001359926643 1064660533 /nfs/dbraw/zinc/66/05/33/1064660533.db2.gz WKPUCFVCAKFDCM-LJQANCHMSA-N 1 1 485.474 4.958 20 30 JJEDMO CC(C)CCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001359927185 1064662994 /nfs/dbraw/zinc/66/29/94/1064662994.db2.gz PYUVPTKNJPXKBB-XMMPIXPASA-N 1 1 480.657 4.603 20 30 JJEDMO CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1)C(C)C ZINC001359992777 1064774964 /nfs/dbraw/zinc/77/49/64/1064774964.db2.gz CIIBDEMKXJRKCJ-FCHUYYIVSA-N 1 1 452.647 4.720 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001360008250 1064796590 /nfs/dbraw/zinc/79/65/90/1064796590.db2.gz NOMYMGLSZTYYNO-WZONZLPQSA-N 1 1 488.478 4.534 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001360008248 1064796682 /nfs/dbraw/zinc/79/66/82/1064796682.db2.gz NOMYMGLSZTYYNO-JPYJTQIMSA-N 1 1 488.478 4.534 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C1 ZINC001360010644 1064803639 /nfs/dbraw/zinc/80/36/39/1064803639.db2.gz TWKIZJIRQOYVGV-ILBGXUMGSA-N 1 1 478.685 4.969 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@@H](C(C)C)C2)C1 ZINC001360011749 1064806230 /nfs/dbraw/zinc/80/62/30/1064806230.db2.gz HSQVVSZHPDTRBB-ILBGXUMGSA-N 1 1 496.725 4.675 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS[C@H](C(C)C)C2)C1 ZINC001360011752 1064806681 /nfs/dbraw/zinc/80/66/81/1064806681.db2.gz HSQVVSZHPDTRBB-ZCYQVOJMSA-N 1 1 496.725 4.675 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)C(C)(C)C2)C1 ZINC001360012325 1064808334 /nfs/dbraw/zinc/80/83/34/1064808334.db2.gz POCIQACXSMGPJJ-ISKFKSNPSA-N 1 1 478.685 4.969 20 30 JJEDMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(Cc2cccs2)C(C)C)C1 ZINC001360036157 1064844752 /nfs/dbraw/zinc/84/47/52/1064844752.db2.gz UPPIXQDPNCJPEG-HSZRJFAPSA-N 1 1 478.666 4.650 20 30 JJEDMO N#Cc1ccccc1/C=C\C(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001435633976 1064895635 /nfs/dbraw/zinc/89/56/35/1064895635.db2.gz XNZKVVTWQCYTNR-NXVVXOECSA-N 1 1 451.570 4.522 20 30 JJEDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(Br)cc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749417 1064972972 /nfs/dbraw/zinc/97/29/72/1064972972.db2.gz MXCRRXCOTIJTLJ-BFUOFWGJSA-N 1 1 450.739 4.536 20 30 JJEDMO CN(C(=O)c1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001360388293 1065252652 /nfs/dbraw/zinc/25/26/52/1065252652.db2.gz RMZZWYRZQFJXJQ-MHZLTWQESA-N 1 1 451.570 4.505 20 30 JJEDMO N#Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1Br ZINC001436211300 1065254325 /nfs/dbraw/zinc/25/43/25/1065254325.db2.gz GKJHBULEEPMION-IBGZPJMESA-N 1 1 452.274 4.714 20 30 JJEDMO C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360466375 1065378155 /nfs/dbraw/zinc/37/81/55/1065378155.db2.gz CKHFLZCFNZOANL-LPHOPBHVSA-N 1 1 459.436 4.566 20 30 JJEDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)CC1 ZINC001360466904 1065380279 /nfs/dbraw/zinc/38/02/79/1065380279.db2.gz QOEVKGUOSSLDLK-IBGZPJMESA-N 1 1 464.639 4.577 20 30 JJEDMO C[C@H](c1ccsc1)[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)CC1 ZINC001360466913 1065380409 /nfs/dbraw/zinc/38/04/09/1065380409.db2.gz QOEVKGUOSSLDLK-LJQANCHMSA-N 1 1 464.639 4.577 20 30 JJEDMO C[C@@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360470701 1065388929 /nfs/dbraw/zinc/38/89/29/1065388929.db2.gz UDVBKOJYNLLNBP-GBXCKJPGSA-N 1 1 476.625 4.976 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001360470884 1065389844 /nfs/dbraw/zinc/38/98/44/1065389844.db2.gz WRKPYRYRCNHOOB-JMUQELJHSA-N 1 1 459.623 4.700 20 30 JJEDMO Cc1c(C#N)c(Br)ccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001436938456 1065477504 /nfs/dbraw/zinc/47/75/04/1065477504.db2.gz LVDUOMIYTDZTBN-RTBURBONSA-N 1 1 481.419 4.940 20 30 JJEDMO C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CC#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC001360590209 1065595171 /nfs/dbraw/zinc/59/51/71/1065595171.db2.gz FPYYPGIHKSJQSY-NQHRYMMQSA-N 1 1 478.685 4.847 20 30 JJEDMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360758289 1065824212 /nfs/dbraw/zinc/82/42/12/1065824212.db2.gz PXLZIDGOMUMCDQ-REIDKSKDSA-N 1 1 475.012 4.634 20 30 JJEDMO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360758290 1065824454 /nfs/dbraw/zinc/82/44/54/1065824454.db2.gz PXLZIDGOMUMCDQ-WPSZSDGUSA-N 1 1 475.012 4.634 20 30 JJEDMO CC1(C)CCC[N@@H+](CCn2c(-c3ccccc3Br)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001360808918 1065922677 /nfs/dbraw/zinc/92/26/77/1065922677.db2.gz WTXIYDWRLJWGEG-UHFFFAOYSA-N 1 1 485.474 4.960 20 30 JJEDMO Cc1cc(C)cc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC001361018257 1066207865 /nfs/dbraw/zinc/20/78/65/1066207865.db2.gz KGKHWSCTFGLLIC-LADGPHEKSA-N 1 1 464.658 4.867 20 30 JJEDMO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001454122693 1066248769 /nfs/dbraw/zinc/24/87/69/1066248769.db2.gz UFUSPSDJNNFODO-XZOQPEGZSA-N 1 1 455.643 4.655 20 30 JJEDMO Cc1ccc(C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001361156317 1066458910 /nfs/dbraw/zinc/45/89/10/1066458910.db2.gz SGPMXHAYZIEGRW-YIXXDRMTSA-N 1 1 464.658 4.724 20 30 JJEDMO C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)[C@@H]1c1ccc(F)cc1 ZINC001446196849 1066674138 /nfs/dbraw/zinc/67/41/38/1066674138.db2.gz RAORRTSOVUTFSK-GGAORHGYSA-N 1 1 454.977 4.519 20 30 JJEDMO C[N@H+]1CC[C@@H](NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)[C@@H]1c1ccc(F)cc1 ZINC001446196849 1066674140 /nfs/dbraw/zinc/67/41/40/1066674140.db2.gz RAORRTSOVUTFSK-GGAORHGYSA-N 1 1 454.977 4.519 20 30 JJEDMO Cc1ncc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)s1 ZINC001492695497 1066842263 /nfs/dbraw/zinc/84/22/63/1066842263.db2.gz DHFXOQLVUCHGPI-SFHVURJKSA-N 1 1 463.655 4.729 20 30 JJEDMO CC[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001457538807 1066855022 /nfs/dbraw/zinc/85/50/22/1066855022.db2.gz IPDSIOYEWJDNAW-KAYWLYCHSA-N 1 1 455.558 4.760 20 30 JJEDMO CC[C@@H](NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001457538807 1066855034 /nfs/dbraw/zinc/85/50/34/1066855034.db2.gz IPDSIOYEWJDNAW-KAYWLYCHSA-N 1 1 455.558 4.760 20 30 JJEDMO Cc1[nH+]ccn1CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CC#N)CC1 ZINC001492705499 1066865445 /nfs/dbraw/zinc/86/54/45/1066865445.db2.gz HWBMNLCOIPJGHD-IBGZPJMESA-N 1 1 465.577 4.673 20 30 JJEDMO Cc1[nH+]ccn1CCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1csc(Br)c1 ZINC001492707733 1066871481 /nfs/dbraw/zinc/87/14/81/1066871481.db2.gz GLBDUSRFZNUHLL-UHFFFAOYSA-N 1 1 496.438 4.872 20 30 JJEDMO Cc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001492875241 1066959440 /nfs/dbraw/zinc/95/94/40/1066959440.db2.gz FHQARHOSLATQKJ-VXKWHMMOSA-N 1 1 460.548 4.539 20 30 JJEDMO N#Cc1cccc(OCCCCC(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)c1 ZINC001459613987 1067364518 /nfs/dbraw/zinc/36/45/18/1067364518.db2.gz DTZBYZLYHZJDIV-UHFFFAOYSA-N 1 1 458.562 4.543 20 30 JJEDMO CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC1CCN(c2ccccn2)CC1 ZINC001459676663 1067380616 /nfs/dbraw/zinc/38/06/16/1067380616.db2.gz XSUUCCIHRJXYCS-HXUWFJFHSA-N 1 1 451.640 4.510 20 30 JJEDMO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC001459716138 1067393715 /nfs/dbraw/zinc/39/37/15/1067393715.db2.gz KBDQUPLXWDSSAH-XMSQKQJNSA-N 1 1 451.567 4.544 20 30 JJEDMO CC[C@@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)c1nc(C)cs1 ZINC001459727817 1067397541 /nfs/dbraw/zinc/39/75/41/1067397541.db2.gz NPMQEWINOJUDDA-XMMPIXPASA-N 1 1 451.596 4.593 20 30 JJEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1(CC)CC ZINC001459748471 1067405009 /nfs/dbraw/zinc/40/50/09/1067405009.db2.gz LNBWSLIBCKIDQD-RPWUZVMVSA-N 1 1 450.627 4.879 20 30 JJEDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459894771 1067477298 /nfs/dbraw/zinc/47/72/98/1067477298.db2.gz XTGDHWAOPZMGPG-MQSCRBSSSA-N 1 1 456.631 4.564 20 30 JJEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC001459924826 1067493808 /nfs/dbraw/zinc/49/38/08/1067493808.db2.gz REHIYTVYAZURQS-GOSISDBHSA-N 1 1 456.384 4.628 20 30 JJEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c(OC(F)F)c1 ZINC001459933481 1067497436 /nfs/dbraw/zinc/49/74/36/1067497436.db2.gz MVCDCDAAWCPPGP-LJQANCHMSA-N 1 1 451.477 4.515 20 30 JJEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c(OC(F)F)c1 ZINC001459933481 1067497443 /nfs/dbraw/zinc/49/74/43/1067497443.db2.gz MVCDCDAAWCPPGP-LJQANCHMSA-N 1 1 451.477 4.515 20 30 JJEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c(OC(F)F)c1 ZINC001459933473 1067497484 /nfs/dbraw/zinc/49/74/84/1067497484.db2.gz MVCDCDAAWCPPGP-IBGZPJMESA-N 1 1 451.477 4.515 20 30 JJEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)c(OC(F)F)c1 ZINC001459933473 1067497490 /nfs/dbraw/zinc/49/74/90/1067497490.db2.gz MVCDCDAAWCPPGP-IBGZPJMESA-N 1 1 451.477 4.515 20 30 JJEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](CN2CCCCC2)c2ccccc2)c1C#N ZINC001459939684 1067500296 /nfs/dbraw/zinc/50/02/96/1067500296.db2.gz YYWLVOBBNPEURS-AREMUKBSSA-N 1 1 455.606 4.721 20 30 JJEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)sc2c1CCC2 ZINC001460139394 1067563145 /nfs/dbraw/zinc/56/31/45/1067563145.db2.gz LJLPGVCLERYAPJ-INIZCTEOSA-N 1 1 458.425 4.764 20 30 JJEDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001460341391 1067611946 /nfs/dbraw/zinc/61/19/46/1067611946.db2.gz GUIJFGFBGPEECJ-XUVXKRRUSA-N 1 1 450.652 4.810 20 30 JJEDMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001460858284 1067736055 /nfs/dbraw/zinc/73/60/55/1067736055.db2.gz KFFCDLJYAULTBQ-NRFANRHFSA-N 1 1 456.384 4.730 20 30 JJEDMO Cc1cc(Br)cc(C)c1NC(=O)CCC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001460858284 1067736059 /nfs/dbraw/zinc/73/60/59/1067736059.db2.gz KFFCDLJYAULTBQ-NRFANRHFSA-N 1 1 456.384 4.730 20 30 JJEDMO C[C@]1(Cc2ccc(Cl)s2)CCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001460870610 1067739100 /nfs/dbraw/zinc/73/91/00/1067739100.db2.gz JSZWDAWCHILYSZ-OAQYLSRUSA-N 1 1 454.945 4.985 20 30 JJEDMO C[C@]1(Cc2ccc(Cl)s2)CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001460870610 1067739106 /nfs/dbraw/zinc/73/91/06/1067739106.db2.gz JSZWDAWCHILYSZ-OAQYLSRUSA-N 1 1 454.945 4.985 20 30 JJEDMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H]1C ZINC001460941635 1067751508 /nfs/dbraw/zinc/75/15/08/1067751508.db2.gz SLKBJGZURWATMV-MUFBNLQYSA-N 1 1 450.579 4.944 20 30 JJEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(C#N)c2Br)C1 ZINC001461027113 1067764623 /nfs/dbraw/zinc/76/46/23/1067764623.db2.gz WONKNFZFVXXRQI-UHFFFAOYSA-N 1 1 451.368 4.681 20 30 JJEDMO C[N@H+]1C[C@@]23CN(C(=O)c4ccc(C(F)(C(F)(F)F)C(F)(F)F)cc4)C[C@]2(C1)CCCC3 ZINC001463471815 1068413051 /nfs/dbraw/zinc/41/30/51/1068413051.db2.gz LHMDQHBKFIAAEG-HDICACEKSA-N 1 1 452.414 4.924 20 30 JJEDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001463838686 1068543031 /nfs/dbraw/zinc/54/30/31/1068543031.db2.gz RBYQZHUAVLRRCJ-UHFFFAOYSA-N 1 1 452.580 4.707 20 30 JJEDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001463838686 1068543040 /nfs/dbraw/zinc/54/30/40/1068543040.db2.gz RBYQZHUAVLRRCJ-UHFFFAOYSA-N 1 1 452.580 4.707 20 30 JJEDMO C=CCN1C(=O)CC[C@]12CCCN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)[C@@H]2CC ZINC001164704547 719823380 /nfs/dbraw/zinc/82/33/80/719823380.db2.gz ZIRUDAIPKIBOFK-IBVKSMDESA-N 1 1 467.683 4.830 20 30 JJEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707735 719906489 /nfs/dbraw/zinc/90/64/89/719906489.db2.gz WWBSGOJIGZBMBX-UHFFFAOYSA-N 1 1 482.009 4.727 20 30 JJEDMO N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1 ZINC001164707128 719907667 /nfs/dbraw/zinc/90/76/67/719907667.db2.gz NWUNNKRYVOMBGO-UHFFFAOYSA-N 1 1 482.009 4.727 20 30 JJEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1C#C[Si](C)(C)C)CC2 ZINC001164710798 720133045 /nfs/dbraw/zinc/13/30/45/720133045.db2.gz CTPKAOUUJOPDCI-RUZDIDTESA-N 1 1 462.714 4.521 20 30 JJEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3ccccc3c(Cl)c1C#N)CC2 ZINC001164710860 720139400 /nfs/dbraw/zinc/13/94/00/720139400.db2.gz FDSLHBQDYLDTQH-FQEVSTJZSA-N 1 1 461.997 4.662 20 30 JJEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C#N)c3cc(Cl)ccc3n1)CC2 ZINC001164712512 720152706 /nfs/dbraw/zinc/15/27/06/720152706.db2.gz NBIVLMTWTPCHDU-JOCHJYFZSA-N 1 1 461.997 4.662 20 30 JJEDMO Cc1nc(C#Cc2ccnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2)c(C)n1-c1ccc(F)cc1 ZINC001164722592 720383158 /nfs/dbraw/zinc/38/31/58/720383158.db2.gz DPDBYUKMRCPSIA-FQLXRVMXSA-N 1 1 492.602 4.671 20 30 JJEDMO CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730947 720416809 /nfs/dbraw/zinc/41/68/09/720416809.db2.gz KALHUEUNRWDDRC-BJKOFHAPSA-N 1 1 475.713 4.543 20 30 JJEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164839872 720653533 /nfs/dbraw/zinc/65/35/33/720653533.db2.gz KMARIWWRVMWQEM-JBYIUTFZSA-N 1 1 466.992 4.782 20 30 JJEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753711 720909397 /nfs/dbraw/zinc/90/93/97/720909397.db2.gz SEBIWWZOWPRZRD-DFHRPNOPSA-N 1 1 488.035 4.910 20 30 JJEDMO CC1(C)CCCc2cc(C#N)c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc21 ZINC001164750782 720936291 /nfs/dbraw/zinc/93/62/91/720936291.db2.gz KMNQQHHJFJMIKS-YZNIXAGQSA-N 1 1 485.676 4.717 20 30 JJEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)c(C#N)c(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164768949 721250312 /nfs/dbraw/zinc/25/03/12/721250312.db2.gz ZDPHQRXAIHEAOU-HOTGVXAUSA-N 1 1 491.373 4.650 20 30 JJEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3c(C#N)c(Cl)nc4cccc(C)c43)C2)C1 ZINC001164780732 721376917 /nfs/dbraw/zinc/37/69/17/721376917.db2.gz IJFFRYKUFYXCNY-SANMLTNESA-N 1 1 480.012 4.792 20 30 JJEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)CC2 ZINC001164791730 721474016 /nfs/dbraw/zinc/47/40/16/721474016.db2.gz YBYBVQLJCABLEJ-HXUWFJFHSA-N 1 1 487.019 4.633 20 30 JJEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3ccc(C)cc3c(Cl)c1C#N)CC2 ZINC001164786802 721474526 /nfs/dbraw/zinc/47/45/26/721474526.db2.gz CGTXEPOSFJFDDX-OAQYLSRUSA-N 1 1 483.056 4.802 20 30 JJEDMO Cc1ccc([C@@H](C#N)c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164905670 721585568 /nfs/dbraw/zinc/58/55/68/721585568.db2.gz KKHFXOGLXIEJAM-BVAGGSTKSA-N 1 1 474.559 4.573 20 30 JJEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)[C@@H]2CCCO[C@@H]12 ZINC001164805020 721592019 /nfs/dbraw/zinc/59/20/19/721592019.db2.gz JYTFYARPGQGWLE-TXTKFYIRSA-N 1 1 468.388 4.676 20 30 JJEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)[C@@H]2CCCO[C@@H]12 ZINC001164805020 721592020 /nfs/dbraw/zinc/59/20/20/721592020.db2.gz JYTFYARPGQGWLE-TXTKFYIRSA-N 1 1 468.388 4.676 20 30 JJEDMO Cc1c(Cl)c(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164907885 721692788 /nfs/dbraw/zinc/69/27/88/721692788.db2.gz VPHVLGQRNZXBMJ-HXUWFJFHSA-N 1 1 452.336 4.701 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@@H]21 ZINC001165028059 721801176 /nfs/dbraw/zinc/80/11/76/721801176.db2.gz YBHNKZJRCPUMBH-UCLAIMLFSA-N 1 1 466.363 4.937 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@@H]21 ZINC001165027053 721830681 /nfs/dbraw/zinc/83/06/81/721830681.db2.gz RJQNFORNZLSLFQ-ILWGZMRPSA-N 1 1 474.996 4.926 20 30 JJEDMO CSc1nc(-c2ccccc2)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1C#N ZINC001164956055 722019213 /nfs/dbraw/zinc/01/92/13/722019213.db2.gz VMKJOWCSMCIPCL-UHFFFAOYSA-N 1 1 456.619 4.625 20 30 JJEDMO N#Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164975674 722122707 /nfs/dbraw/zinc/12/27/07/722122707.db2.gz KGACOUQFWGKANO-RCZVLFRGSA-N 1 1 481.625 4.957 20 30 JJEDMO C=CCOC[C@@H]1CCC[C@@]12CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CCO2 ZINC001164980408 722168989 /nfs/dbraw/zinc/16/89/89/722168989.db2.gz XWMLIWNGXDCSRS-CCLHPLFOSA-N 1 1 482.694 4.744 20 30 JJEDMO C=CCOC[C@H]1CCC[C@@]12CN(c1nc(C[NH+](CC)CC)nc3sc(C)c(C)c31)CCO2 ZINC001164979983 722169417 /nfs/dbraw/zinc/16/94/17/722169417.db2.gz VYRGQXRTOJUINU-CJFMBICVSA-N 1 1 458.672 4.728 20 30 JJEDMO C=CCOC[C@@H]1CCC[C@]12CN(c1nc(C[NH+](CC)CC)nc3sc(C)c(C)c31)CCO2 ZINC001164979991 722169517 /nfs/dbraw/zinc/16/95/17/722169517.db2.gz VYRGQXRTOJUINU-CPJSRVTESA-N 1 1 458.672 4.728 20 30 JJEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164996727 722203643 /nfs/dbraw/zinc/20/36/43/722203643.db2.gz VWNMNPVDHPKMTF-QHCPKHFHSA-N 1 1 492.929 4.712 20 30 JJEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164996727 722203645 /nfs/dbraw/zinc/20/36/45/722203645.db2.gz VWNMNPVDHPKMTF-QHCPKHFHSA-N 1 1 492.929 4.712 20 30 JJEDMO CC(C)[C@@H]1OCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001359762137 1064374460 /nfs/dbraw/zinc/37/44/60/1064374460.db2.gz QKPMBVLDXUGQNH-AHWVRZQESA-N 1 1 478.685 4.512 20 30 JJEDMO CC(C)Cc1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1CCc1ccc(Cl)s1 ZINC001359860520 1064549430 /nfs/dbraw/zinc/54/94/30/1064549430.db2.gz IPYJYTKREQJCKX-UHFFFAOYSA-N 1 1 469.058 4.628 20 30 JJEDMO C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435251042 1064627442 /nfs/dbraw/zinc/62/74/42/1064627442.db2.gz ARFYSNDUBCUPRE-NIYFSFCBSA-N 1 1 459.521 4.509 20 30 JJEDMO C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435251042 1064627451 /nfs/dbraw/zinc/62/74/51/1064627451.db2.gz ARFYSNDUBCUPRE-NIYFSFCBSA-N 1 1 459.521 4.509 20 30 JJEDMO C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001435251044 1064627565 /nfs/dbraw/zinc/62/75/65/1064627565.db2.gz ARFYSNDUBCUPRE-SIBVEZHUSA-N 1 1 459.521 4.509 20 30 JJEDMO C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001435251044 1064627575 /nfs/dbraw/zinc/62/75/75/1064627575.db2.gz ARFYSNDUBCUPRE-SIBVEZHUSA-N 1 1 459.521 4.509 20 30 JJEDMO CC(C)CCN(CCC#N)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001359926935 1064660889 /nfs/dbraw/zinc/66/08/89/1064660889.db2.gz HYQRXWSEEBNSSL-LJQANCHMSA-N 1 1 452.006 4.824 20 30 JJEDMO CC(C)CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC001359992778 1064774998 /nfs/dbraw/zinc/77/49/98/1064774998.db2.gz CIIBDEMKXJRKCJ-FGZHOGPDSA-N 1 1 452.647 4.720 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1 ZINC001360010462 1064802506 /nfs/dbraw/zinc/80/25/06/1064802506.db2.gz QDXCYRYTONJOJN-CAOCKLPOSA-N 1 1 462.686 4.978 20 30 JJEDMO CC(C)C[N@H+]1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001360034486 1064839429 /nfs/dbraw/zinc/83/94/29/1064839429.db2.gz FWGJGRSXODSHGV-LJQANCHMSA-N 1 1 491.467 4.739 20 30 JJEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001435808345 1065003078 /nfs/dbraw/zinc/00/30/78/1065003078.db2.gz MTJKVHJGNQMXDB-IBGZPJMESA-N 1 1 450.073 4.962 20 30 JJEDMO CN(C(=O)c1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001360388291 1065252689 /nfs/dbraw/zinc/25/26/89/1065252689.db2.gz RMZZWYRZQFJXJQ-HHHXNRCGSA-N 1 1 451.570 4.505 20 30 JJEDMO C[C@@H](CC#N)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001360466376 1065378195 /nfs/dbraw/zinc/37/81/95/1065378195.db2.gz CKHFLZCFNZOANL-QFBILLFUSA-N 1 1 459.436 4.566 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001360470883 1065389672 /nfs/dbraw/zinc/38/96/72/1065389672.db2.gz WRKPYRYRCNHOOB-AAIMPIBUSA-N 1 1 459.623 4.700 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001360470704 1065389832 /nfs/dbraw/zinc/38/98/32/1065389832.db2.gz UDVBKOJYNLLNBP-YKSBVNFPSA-N 1 1 476.625 4.976 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001360482923 1065402975 /nfs/dbraw/zinc/40/29/75/1065402975.db2.gz NJFKQQVYMKVMID-ZBCONREDSA-N 1 1 478.685 4.846 20 30 JJEDMO C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001360482920 1065403059 /nfs/dbraw/zinc/40/30/59/1065403059.db2.gz NJFKQQVYMKVMID-BPUWIUIQSA-N 1 1 478.685 4.846 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001360483560 1065403739 /nfs/dbraw/zinc/40/37/39/1065403739.db2.gz YVYNFYYIWSRNDB-CWKRKGSWSA-N 1 1 456.679 4.732 20 30 JJEDMO C[C@H](CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C)c1nccs1 ZINC001360521672 1065496487 /nfs/dbraw/zinc/49/64/87/1065496487.db2.gz XQHJVLUEGBNYFL-NQIIRXRSSA-N 1 1 463.655 4.634 20 30 JJEDMO CC[NH+](CC)[C@@H](C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)c1cccc(C(F)(F)F)c1 ZINC001438684798 1065743631 /nfs/dbraw/zinc/74/36/31/1065743631.db2.gz CEWFWWJGXJSFDG-JOCHJYFZSA-N 1 1 455.484 4.843 20 30 JJEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC001360748121 1065789733 /nfs/dbraw/zinc/78/97/33/1065789733.db2.gz RAQWUVWSQRZLBN-QHCPKHFHSA-N 1 1 455.606 4.817 20 30 JJEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC001360748120 1065789993 /nfs/dbraw/zinc/78/99/93/1065789993.db2.gz RAQWUVWSQRZLBN-HSZRJFAPSA-N 1 1 455.606 4.817 20 30 JJEDMO CC(C)(C)[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001360808066 1065920167 /nfs/dbraw/zinc/92/01/67/1065920167.db2.gz DQGLVOZUSHXCHM-HHHXNRCGSA-N 1 1 464.658 4.580 20 30 JJEDMO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001440737982 1065973472 /nfs/dbraw/zinc/97/34/72/1065973472.db2.gz IFBHPGMGJAYGPD-UHFFFAOYSA-N 1 1 452.530 4.617 20 30 JJEDMO Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001440737982 1065973486 /nfs/dbraw/zinc/97/34/86/1065973486.db2.gz IFBHPGMGJAYGPD-UHFFFAOYSA-N 1 1 452.530 4.617 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)c1C ZINC001360873591 1066009756 /nfs/dbraw/zinc/00/97/56/1066009756.db2.gz GPXLRNKSAKTXSE-ZQIDGUAPSA-N 1 1 494.684 4.666 20 30 JJEDMO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001441355169 1066032551 /nfs/dbraw/zinc/03/25/51/1066032551.db2.gz ARQZOQXSPRUVHJ-GHTZIAJQSA-N 1 1 450.023 4.713 20 30 JJEDMO Cc1occc1CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001360949837 1066107526 /nfs/dbraw/zinc/10/75/26/1066107526.db2.gz VDXBGVRNHRDBNR-HXUWFJFHSA-N 1 1 476.625 4.777 20 30 JJEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001360964745 1066124019 /nfs/dbraw/zinc/12/40/19/1066124019.db2.gz YTDCQGHTKXEMIY-IDISGSTGSA-N 1 1 455.558 4.678 20 30 JJEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001360964745 1066124022 /nfs/dbraw/zinc/12/40/22/1066124022.db2.gz YTDCQGHTKXEMIY-IDISGSTGSA-N 1 1 455.558 4.678 20 30 JJEDMO Cc1[nH+]ccn1CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N(C)[C@@H](C)CC#N ZINC001360987065 1066156691 /nfs/dbraw/zinc/15/66/91/1066156691.db2.gz ROAWXAOLYWRAHM-ROUUACIJSA-N 1 1 455.994 4.632 20 30 JJEDMO Cc1cc(C)cc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001361032167 1066245521 /nfs/dbraw/zinc/24/55/21/1066245521.db2.gz MOWWANIQIVGHKB-HOFKKMOUSA-N 1 1 464.658 4.724 20 30 JJEDMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001361088274 1066329946 /nfs/dbraw/zinc/32/99/46/1066329946.db2.gz HEOIOTFLEISAPX-FNZWTVRRSA-N 1 1 485.076 4.864 20 30 JJEDMO N#Cc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)c1Br ZINC001444501435 1066468910 /nfs/dbraw/zinc/46/89/10/1066468910.db2.gz IDHMGXXNMOIKCD-UHFFFAOYSA-N 1 1 452.396 4.982 20 30 JJEDMO Cc1[nH+]ccn1CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCC(C#N)CC1 ZINC001361198111 1066526285 /nfs/dbraw/zinc/52/62/85/1066526285.db2.gz JEMXZXGYOYOLBF-UHFFFAOYSA-N 1 1 482.430 4.741 20 30 JJEDMO Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)cc1Br ZINC001361205388 1066536681 /nfs/dbraw/zinc/53/66/81/1066536681.db2.gz IIKUATMOAGNAGG-MBSDFSHPSA-N 1 1 489.437 4.578 20 30 JJEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@@H](C)C1 ZINC001456301537 1066558514 /nfs/dbraw/zinc/55/85/14/1066558514.db2.gz MKKHEMSYRVTRFI-PGRDOPGGSA-N 1 1 455.986 4.871 20 30 JJEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@H](C)C1 ZINC001456301540 1066558618 /nfs/dbraw/zinc/55/86/18/1066558618.db2.gz MKKHEMSYRVTRFI-XMSQKQJNSA-N 1 1 455.986 4.871 20 30 JJEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC001446354447 1066695608 /nfs/dbraw/zinc/69/56/08/1066695608.db2.gz IDRDYXHGUCPVKE-UHFFFAOYSA-N 1 1 451.636 4.920 20 30 JJEDMO Cc1cnc([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC001492630191 1066703492 /nfs/dbraw/zinc/70/34/92/1066703492.db2.gz PMTJLZZFGNZMEJ-IBGZPJMESA-N 1 1 477.682 4.942 20 30 JJEDMO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001492717116 1066883305 /nfs/dbraw/zinc/88/33/05/1066883305.db2.gz JWHLNJYZGDALIF-BGYRXZFFSA-N 1 1 488.684 4.560 20 30 JJEDMO CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC1CCN(c2ccccn2)CC1 ZINC001459666974 1067376587 /nfs/dbraw/zinc/37/65/87/1067376587.db2.gz SJYOAIQZBQDMDB-UHFFFAOYSA-N 1 1 454.018 4.529 20 30 JJEDMO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)CCC2 ZINC001459693135 1067385804 /nfs/dbraw/zinc/38/58/04/1067385804.db2.gz FIXAHMVGXXMFPJ-FQEVSTJZSA-N 1 1 451.596 4.585 20 30 JJEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)CCC2 ZINC001459693135 1067385813 /nfs/dbraw/zinc/38/58/13/1067385813.db2.gz FIXAHMVGXXMFPJ-FQEVSTJZSA-N 1 1 451.596 4.585 20 30 JJEDMO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)CCC2 ZINC001459707257 1067390066 /nfs/dbraw/zinc/39/00/66/1067390066.db2.gz IFSJLNXYPCHFPA-OAQYLSRUSA-N 1 1 451.571 4.818 20 30 JJEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)CCC2 ZINC001459707257 1067390078 /nfs/dbraw/zinc/39/00/78/1067390078.db2.gz IFSJLNXYPCHFPA-OAQYLSRUSA-N 1 1 451.571 4.818 20 30 JJEDMO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(N3c4ccccc4C[C@@H]3C)CC2)ccc1Cl ZINC001459708969 1067390798 /nfs/dbraw/zinc/39/07/98/1067390798.db2.gz VTDYWAANSJFIDG-FQEVSTJZSA-N 1 1 451.014 4.811 20 30 JJEDMO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC001459716126 1067393688 /nfs/dbraw/zinc/39/36/88/1067393688.db2.gz KBDQUPLXWDSSAH-GCJKJVERSA-N 1 1 451.567 4.544 20 30 JJEDMO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc2ccccc2c1 ZINC001459849072 1067454651 /nfs/dbraw/zinc/45/46/51/1067454651.db2.gz HZPIVSXKHBSPES-HXUWFJFHSA-N 1 1 450.564 4.567 20 30 JJEDMO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459894774 1067477231 /nfs/dbraw/zinc/47/72/31/1067477231.db2.gz XTGDHWAOPZMGPG-XJUOHMSHSA-N 1 1 456.631 4.564 20 30 JJEDMO Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC001459899734 1067479225 /nfs/dbraw/zinc/47/92/25/1067479225.db2.gz UPQZMMZJGKRFLI-KPZWWZAWSA-N 1 1 455.381 4.630 20 30 JJEDMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccc(C)cc1Br)C[C@H]1CCCO1 ZINC001460034072 1067535368 /nfs/dbraw/zinc/53/53/68/1067535368.db2.gz LHYHTPHVAQHJGE-HXUWFJFHSA-N 1 1 459.384 4.698 20 30 JJEDMO COc1cc(C#N)ccc1OCC[N@H+](Cc1ccc(C)cc1Br)C[C@H]1CCCO1 ZINC001460034072 1067535374 /nfs/dbraw/zinc/53/53/74/1067535374.db2.gz LHYHTPHVAQHJGE-HXUWFJFHSA-N 1 1 459.384 4.698 20 30 JJEDMO CSc1ccccc1OC[C@H](O)C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC001460239346 1067588834 /nfs/dbraw/zinc/58/88/34/1067588834.db2.gz FXHLVKNOIXCCCH-LJQANCHMSA-N 1 1 453.526 4.809 20 30 JJEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001460313714 1067605482 /nfs/dbraw/zinc/60/54/82/1067605482.db2.gz FMYXYEUXHWFLLO-MJMJPBAGSA-N 1 1 450.671 4.684 20 30 JJEDMO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC001460389258 1067624621 /nfs/dbraw/zinc/62/46/21/1067624621.db2.gz JTXCLDDENGSAHU-FGZHOGPDSA-N 1 1 477.540 4.630 20 30 JJEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC001460572739 1067658675 /nfs/dbraw/zinc/65/86/75/1067658675.db2.gz GLDUPFFDEMXLTR-KSSFIOAISA-N 1 1 452.407 4.897 20 30 JJEDMO CC(C)(C)OC(=O)Nc1cccc2c1C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC001460983196 1067756727 /nfs/dbraw/zinc/75/67/27/1067756727.db2.gz XXOJBGXEGWLRLM-UHFFFAOYSA-N 1 1 454.958 4.946 20 30 JJEDMO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC001461226298 1067804371 /nfs/dbraw/zinc/80/43/71/1067804371.db2.gz YOISPSDOSZTRCS-UHFFFAOYSA-N 1 1 453.380 4.976 20 30 JJEDMO C=CCOc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)cc1OC ZINC001461256611 1067811297 /nfs/dbraw/zinc/81/12/97/1067811297.db2.gz MQCIMFYYPYDDJY-RUZDIDTESA-N 1 1 455.551 4.682 20 30 JJEDMO Cc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1NC(=O)C[NH+]1CCCCC1 ZINC001464542698 1068777212 /nfs/dbraw/zinc/77/72/12/1068777212.db2.gz AIISYWYXHIIMNT-UHFFFAOYSA-N 1 1 457.578 4.930 20 30 JJEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC001464725391 1068839281 /nfs/dbraw/zinc/83/92/81/1068839281.db2.gz UAVLSIIVEIVRBM-UHFFFAOYSA-N 1 1 456.359 4.886 20 30 JJEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC001464725391 1068839299 /nfs/dbraw/zinc/83/92/99/1068839299.db2.gz UAVLSIIVEIVRBM-UHFFFAOYSA-N 1 1 456.359 4.886 20 30 JJEDMO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707548 719910383 /nfs/dbraw/zinc/91/03/83/719910383.db2.gz TYDDFWYYDXMTEE-UHFFFAOYSA-N 1 1 456.974 4.832 20 30 JJEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1C#C[Si](C)(C)C)CC2 ZINC001164710799 720131608 /nfs/dbraw/zinc/13/16/08/720131608.db2.gz CTPKAOUUJOPDCI-VWLOTQADSA-N 1 1 462.714 4.521 20 30 JJEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(-c3cccs3)ccc1C#N)CC2 ZINC001164714853 720143210 /nfs/dbraw/zinc/14/32/10/720143210.db2.gz ZVIVVUDXLFIXKA-QFIPXVFZSA-N 1 1 459.619 4.584 20 30 JJEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164839882 720653630 /nfs/dbraw/zinc/65/36/30/720653630.db2.gz KMARIWWRVMWQEM-NPPFBWRTSA-N 1 1 466.992 4.782 20 30 JJEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc([C@H](C#N)c3ccccc3F)nn1)CC2 ZINC001164842747 720699467 /nfs/dbraw/zinc/69/94/67/720699467.db2.gz NCVDSPBBROGDKV-ISKFKSNPSA-N 1 1 471.580 4.531 20 30 JJEDMO Cc1c(Cl)c(Cl)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C#N ZINC001164755745 720878329 /nfs/dbraw/zinc/87/83/29/720878329.db2.gz YRPFFZMUMXFGGZ-CJFMBICVSA-N 1 1 486.447 4.719 20 30 JJEDMO CC1(C)CCCc2cc(C#N)c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc21 ZINC001164750777 720936549 /nfs/dbraw/zinc/93/65/49/720936549.db2.gz KMNQQHHJFJMIKS-VIZCGCQYSA-N 1 1 485.676 4.717 20 30 JJEDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164886617 721415646 /nfs/dbraw/zinc/41/56/46/721415646.db2.gz KIANHEYOZYEOFH-FIPFOOKPSA-N 1 1 487.673 4.600 20 30 JJEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164904707 721567986 /nfs/dbraw/zinc/56/79/86/721567986.db2.gz FJBGCJCCTHXSNU-FPOVZHCZSA-N 1 1 499.924 4.695 20 30 JJEDMO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907095 721584602 /nfs/dbraw/zinc/58/46/02/721584602.db2.gz RMRGMGWRHBERKE-IBGZPJMESA-N 1 1 488.316 4.938 20 30 JJEDMO Cc1c(Cl)c(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164907882 721692778 /nfs/dbraw/zinc/69/27/78/721692778.db2.gz VPHVLGQRNZXBMJ-FQEVSTJZSA-N 1 1 452.336 4.701 20 30 JJEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1F ZINC001164907004 721706735 /nfs/dbraw/zinc/70/67/35/721706735.db2.gz PJRAWSAOPGXDGG-XMMPIXPASA-N 1 1 498.940 4.940 20 30 JJEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc([C@@H](C#N)c5ccc(C)cc5)nn4)CC3)C2)cc1 ZINC001164938823 721921059 /nfs/dbraw/zinc/92/10/59/721921059.db2.gz RVLIJSPOKUCMJO-SANMLTNESA-N 1 1 467.617 4.620 20 30 JJEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(COc5ccc(CC#N)cc5)cn4)CC3)C2)cc1 ZINC001164940138 721931130 /nfs/dbraw/zinc/93/11/30/721931130.db2.gz QNRAZECJEWCLKK-UHFFFAOYSA-N 1 1 482.628 4.907 20 30 JJEDMO CC[NH+](CC)C1CCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001165053084 722005258 /nfs/dbraw/zinc/00/52/58/722005258.db2.gz HTXRAECRLUPENP-QHCPKHFHSA-N 1 1 498.052 4.632 20 30 JJEDMO CC[NH+](CC)C1CCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC001165053739 722005588 /nfs/dbraw/zinc/00/55/88/722005588.db2.gz UOBFIUNWBCIFTE-VWLOTQADSA-N 1 1 491.661 4.596 20 30 JJEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c12 ZINC001164966537 722062749 /nfs/dbraw/zinc/06/27/49/722062749.db2.gz VUANEFPQJXIXDM-UHFFFAOYSA-N 1 1 461.997 4.582 20 30 JJEDMO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972635 722159649 /nfs/dbraw/zinc/15/96/49/722159649.db2.gz IUYFYOKYZHVSIV-DYESRHJHSA-N 1 1 468.388 4.536 20 30 JJEDMO C=CCOC[C@H]1CCC[C@]12CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CCO2 ZINC001164980411 722169008 /nfs/dbraw/zinc/16/90/08/722169008.db2.gz XWMLIWNGXDCSRS-HRFSGMKKSA-N 1 1 482.694 4.744 20 30 JJEDMO CC(C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001359712471 1064261157 /nfs/dbraw/zinc/26/11/57/1064261157.db2.gz UGJHWJIYQBQWTN-JWQCQUIFSA-N 1 1 478.685 4.827 20 30 JJEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1 ZINC001434885063 1064316641 /nfs/dbraw/zinc/31/66/41/1064316641.db2.gz UHONPCFJWRWNLL-WUFINQPMSA-N 1 1 480.612 4.750 20 30 JJEDMO CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+](C)C2CCCCC2)CCS1 ZINC001359748122 1064332779 /nfs/dbraw/zinc/33/27/79/1064332779.db2.gz OYVSTNPUERFNMJ-QHCPKHFHSA-N 1 1 452.672 4.659 20 30 JJEDMO CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC[N@@H+](C)C2CCCCC2)CCS1 ZINC001359755379 1064348891 /nfs/dbraw/zinc/34/88/91/1064348891.db2.gz ZAFRLKZABVFGFJ-RUZDIDTESA-N 1 1 496.725 4.961 20 30 JJEDMO CC(C)[C@H]1OCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001359762138 1064374373 /nfs/dbraw/zinc/37/43/73/1064374373.db2.gz QKPMBVLDXUGQNH-AOYPEHQESA-N 1 1 478.685 4.512 20 30 JJEDMO CC(C)Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001359817387 1064499923 /nfs/dbraw/zinc/49/99/23/1064499923.db2.gz CGVZKMBPWDGYRE-FGZHOGPDSA-N 1 1 464.658 4.516 20 30 JJEDMO CC(C)CCN(CCC#N)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001359926286 1064657869 /nfs/dbraw/zinc/65/78/69/1064657869.db2.gz ITEHAYDDAGPGHB-IBGZPJMESA-N 1 1 452.006 4.824 20 30 JJEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC001435336416 1064707335 /nfs/dbraw/zinc/70/73/35/1064707335.db2.gz AKKJIGATXFUCBQ-HNAYVOBHSA-N 1 1 450.073 4.865 20 30 JJEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC001435339083 1064709359 /nfs/dbraw/zinc/70/93/59/1064709359.db2.gz KNOUFYVXPLUYLH-GJZUVCINSA-N 1 1 455.606 4.721 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnc(C(C)C)nc2)C1 ZINC001360008077 1064796001 /nfs/dbraw/zinc/79/60/01/1064796001.db2.gz KKYVIDHMRPITRI-HSZRJFAPSA-N 1 1 486.668 4.735 20 30 JJEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749420 1064973255 /nfs/dbraw/zinc/97/32/55/1064973255.db2.gz MXCRRXCOTIJTLJ-ORAYPTAESA-N 1 1 450.739 4.536 20 30 JJEDMO CC(C)[N@@H+](C)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(Br)o1 ZINC001360097387 1064974890 /nfs/dbraw/zinc/97/48/90/1064974890.db2.gz FXHMDOVQJULKAY-UHFFFAOYSA-N 1 1 471.403 4.539 20 30 JJEDMO CC(C)[N@@H+](C)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2ccsc2)CC1 ZINC001360103272 1064983504 /nfs/dbraw/zinc/98/35/04/1064983504.db2.gz FHNCEMFEJNVCEW-UHFFFAOYSA-N 1 1 478.666 4.905 20 30 JJEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001435808346 1065003199 /nfs/dbraw/zinc/00/31/99/1065003199.db2.gz MTJKVHJGNQMXDB-LJQANCHMSA-N 1 1 450.073 4.962 20 30 JJEDMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cscc2C(F)(F)F)CC1 ZINC001360144501 1065046837 /nfs/dbraw/zinc/04/68/37/1065046837.db2.gz LHVMMIVMJNOLTP-UHFFFAOYSA-N 1 1 474.556 4.866 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001360470886 1065389767 /nfs/dbraw/zinc/38/97/67/1065389767.db2.gz WRKPYRYRCNHOOB-RZFNWQHOSA-N 1 1 459.623 4.700 20 30 JJEDMO N#Cc1nc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)ccc1Br ZINC001437008073 1065493705 /nfs/dbraw/zinc/49/37/05/1065493705.db2.gz MJZHUBVYRVCZQE-IAGOWNOFSA-N 1 1 467.392 4.632 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001360753950 1065801512 /nfs/dbraw/zinc/80/15/12/1065801512.db2.gz LRNNKOQHTMCXNX-SQNIBIBYSA-N 1 1 453.978 4.584 20 30 JJEDMO CC(C)(C)[C@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001360808068 1065920863 /nfs/dbraw/zinc/92/08/63/1065920863.db2.gz DQGLVOZUSHXCHM-MHZLTWQESA-N 1 1 464.658 4.580 20 30 JJEDMO CC1(C)CCC[N@@H+](CCn2c(COc3ccc(C#N)cc3)nnc2N2CC=C(C(F)(F)F)CC2)C1 ZINC001360808074 1065920995 /nfs/dbraw/zinc/92/09/95/1065920995.db2.gz DWICOHISDBWLLF-UHFFFAOYSA-N 1 1 488.558 4.550 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360866211 1065988117 /nfs/dbraw/zinc/98/81/17/1065988117.db2.gz OPYHMZUGHFCGIU-VXPBHUBDSA-N 1 1 482.673 4.519 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC001360866211 1065988126 /nfs/dbraw/zinc/98/81/26/1065988126.db2.gz OPYHMZUGHFCGIU-VXPBHUBDSA-N 1 1 482.673 4.519 20 30 JJEDMO Cc1cccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@H+]2CCC[C@@H](C)C2)c1C ZINC001360874654 1066014404 /nfs/dbraw/zinc/01/44/04/1066014404.db2.gz NUQONMPEIJPAIF-LXHIVTORSA-N 1 1 464.658 4.897 20 30 JJEDMO Cc1ncsc1CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001360935569 1066095626 /nfs/dbraw/zinc/09/56/26/1066095626.db2.gz PLFLBQOLQSOUKF-BGYRXZFFSA-N 1 1 477.682 4.976 20 30 JJEDMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)c1ccc(C#Cc2ccccc2)cc1 ZINC001442297519 1066112938 /nfs/dbraw/zinc/11/29/38/1066112938.db2.gz OSNIOZFMTIESDT-UHFFFAOYSA-N 1 1 458.005 4.682 20 30 JJEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001360964748 1066124009 /nfs/dbraw/zinc/12/40/09/1066124009.db2.gz YTDCQGHTKXEMIY-ZBLYBZFDSA-N 1 1 455.558 4.678 20 30 JJEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001360964748 1066124013 /nfs/dbraw/zinc/12/40/13/1066124013.db2.gz YTDCQGHTKXEMIY-ZBLYBZFDSA-N 1 1 455.558 4.678 20 30 JJEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC001360964746 1066124027 /nfs/dbraw/zinc/12/40/27/1066124027.db2.gz YTDCQGHTKXEMIY-JIPXPUAJSA-N 1 1 455.558 4.678 20 30 JJEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC001360964746 1066124030 /nfs/dbraw/zinc/12/40/30/1066124030.db2.gz YTDCQGHTKXEMIY-JIPXPUAJSA-N 1 1 455.558 4.678 20 30 JJEDMO Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001360987168 1066157395 /nfs/dbraw/zinc/15/73/95/1066157395.db2.gz UGRNLVUQIVVPOI-ZCNNSNEGSA-N 1 1 482.032 4.886 20 30 JJEDMO Cc1cc(Cl)ccc1OCCCc1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001361088276 1066330270 /nfs/dbraw/zinc/33/02/70/1066330270.db2.gz HEOIOTFLEISAPX-IBVKSMDESA-N 1 1 485.076 4.864 20 30 JJEDMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC[N@H+]2CCC[C@@H]2C)c1 ZINC001361128137 1066391021 /nfs/dbraw/zinc/39/10/21/1066391021.db2.gz SUXVQESHFAMTQM-WXVAWEFUSA-N 1 1 464.658 4.903 20 30 JJEDMO Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CC[N@H+]2CCC[C@H]2C)c1 ZINC001361128134 1066391164 /nfs/dbraw/zinc/39/11/64/1066391164.db2.gz SUXVQESHFAMTQM-AJTFRIOCSA-N 1 1 464.658 4.903 20 30 JJEDMO Cc1ccc(-c2nnc(N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)n2CCSC(F)(F)F)o1 ZINC001361218238 1066554540 /nfs/dbraw/zinc/55/45/40/1066554540.db2.gz QNWRGFHQEPGAIZ-UHFFFAOYSA-N 1 1 490.555 4.684 20 30 JJEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)c1 ZINC001456487083 1066596762 /nfs/dbraw/zinc/59/67/62/1066596762.db2.gz DSNFCRYYMFTWSV-QLBJFCOMSA-N 1 1 459.615 4.961 20 30 JJEDMO C=CC[C@]1(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)CCCN1C(=O)OC(C)(C)C ZINC001449228547 1066991189 /nfs/dbraw/zinc/99/11/89/1066991189.db2.gz NJFWLQLTWVSCJS-QFQXNSOFSA-N 1 1 453.583 4.573 20 30 JJEDMO C=CC[C@]1(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)CCCN1C(=O)OC(C)(C)C ZINC001449228540 1066991422 /nfs/dbraw/zinc/99/14/22/1066991422.db2.gz NJFWLQLTWVSCJS-HFZDXXHNSA-N 1 1 453.583 4.573 20 30 JJEDMO N#C[C@@H](CCc1ccccc1)C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001450139050 1067053121 /nfs/dbraw/zinc/05/31/21/1067053121.db2.gz HXJUKRJJMHQNNO-VSGBNLITSA-N 1 1 452.602 4.847 20 30 JJEDMO N#Cc1cccnc1NCc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001450831457 1067127188 /nfs/dbraw/zinc/12/71/88/1067127188.db2.gz GKZMSYFNHJXPQD-DEOSSOPVSA-N 1 1 453.590 4.597 20 30 JJEDMO Cc1nc(C[NH+]2CCC(C(=O)N(Cc3cccc(C(F)(F)F)c3)[C@@H](C)C#N)CC2)cs1 ZINC001451967611 1067201091 /nfs/dbraw/zinc/20/10/91/1067201091.db2.gz DIMKYRGKQDPBMN-HNNXBMFYSA-N 1 1 450.530 4.623 20 30 JJEDMO C=CCN(C(=O)C[N@H+]1CCCC[C@H]1[C@@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459455090 1067327798 /nfs/dbraw/zinc/32/77/98/1067327798.db2.gz QXHFOWQVSCISDP-KUHUBIRLSA-N 1 1 454.423 4.871 20 30 JJEDMO C=CCN(C(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459455090 1067327808 /nfs/dbraw/zinc/32/78/08/1067327808.db2.gz QXHFOWQVSCISDP-KUHUBIRLSA-N 1 1 454.423 4.871 20 30 JJEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001459538575 1067347585 /nfs/dbraw/zinc/34/75/85/1067347585.db2.gz GJHOWQJFGCDVNJ-ZTCOLXNVSA-N 1 1 452.574 4.569 20 30 JJEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@H]1CCN(Cc2ccccc2)C1 ZINC001459905195 1067482550 /nfs/dbraw/zinc/48/25/50/1067482550.db2.gz YYXUEUIZGKOPIQ-CTNGQTDRSA-N 1 1 450.652 4.670 20 30 JJEDMO CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001459905195 1067482555 /nfs/dbraw/zinc/48/25/55/1067482555.db2.gz YYXUEUIZGKOPIQ-CTNGQTDRSA-N 1 1 450.652 4.670 20 30 JJEDMO CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001459905195 1067482561 /nfs/dbraw/zinc/48/25/61/1067482561.db2.gz YYXUEUIZGKOPIQ-CTNGQTDRSA-N 1 1 450.652 4.670 20 30 JJEDMO C=CCC[N@H+](C)CC(=O)Nc1cc(-c2ccc(Br)cc2)sc1C(=O)OCC ZINC001459955495 1067505698 /nfs/dbraw/zinc/50/56/98/1067505698.db2.gz DBUXXZSCFUFODK-UHFFFAOYSA-N 1 1 451.386 4.801 20 30 JJEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)c1 ZINC001459961016 1067508521 /nfs/dbraw/zinc/50/85/21/1067508521.db2.gz RIMNRNWMMJTZBX-KRWDZBQOSA-N 1 1 450.404 4.634 20 30 JJEDMO COc1ccc(C[C@H]2CCC[N@@H+](CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)C2)cc1 ZINC001460134291 1067561514 /nfs/dbraw/zinc/56/15/14/1067561514.db2.gz IHESCPAQIGUEPD-HSZRJFAPSA-N 1 1 456.590 4.868 20 30 JJEDMO COc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)C2)cc1 ZINC001460134292 1067561564 /nfs/dbraw/zinc/56/15/64/1067561564.db2.gz IHESCPAQIGUEPD-QHCPKHFHSA-N 1 1 456.590 4.868 20 30 JJEDMO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC001460211582 1067580452 /nfs/dbraw/zinc/58/04/52/1067580452.db2.gz GWSVEIGHUVTDQE-LEWJYISDSA-N 1 1 451.571 4.610 20 30 JJEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1C#N ZINC001460462068 1067638666 /nfs/dbraw/zinc/63/86/66/1067638666.db2.gz TUVXLHQRZHFKBY-DENIHFKCSA-N 1 1 460.500 4.554 20 30 JJEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC001460572733 1067658716 /nfs/dbraw/zinc/65/87/16/1067658716.db2.gz GLDUPFFDEMXLTR-KDOFPFPSSA-N 1 1 452.407 4.897 20 30 JJEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001460611851 1067671675 /nfs/dbraw/zinc/67/16/75/1067671675.db2.gz UBIDXFFSCCYHQR-FGZHOGPDSA-N 1 1 456.631 4.708 20 30 JJEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001460611851 1067671681 /nfs/dbraw/zinc/67/16/81/1067671681.db2.gz UBIDXFFSCCYHQR-FGZHOGPDSA-N 1 1 456.631 4.708 20 30 JJEDMO CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC001460753707 1067716518 /nfs/dbraw/zinc/71/65/18/1067716518.db2.gz ZBBGVJLQCNBVMT-RDJZCZTQSA-N 1 1 450.423 4.692 20 30 JJEDMO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC001460753707 1067716523 /nfs/dbraw/zinc/71/65/23/1067716523.db2.gz ZBBGVJLQCNBVMT-RDJZCZTQSA-N 1 1 450.423 4.692 20 30 JJEDMO CN(C)c1ncc(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2ccccc21 ZINC001460874875 1067740117 /nfs/dbraw/zinc/74/01/17/1067740117.db2.gz IOFLVTIOPLNHHA-GASCZTMLSA-N 1 1 453.377 4.904 20 30 JJEDMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H]1C ZINC001460941649 1067751680 /nfs/dbraw/zinc/75/16/80/1067751680.db2.gz SLKBJGZURWATMV-YKFMDHBFSA-N 1 1 450.579 4.944 20 30 JJEDMO COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2cc(C#N)ccc2Br)cn1 ZINC001461063998 1067773882 /nfs/dbraw/zinc/77/38/82/1067773882.db2.gz MMDZXLBSZAUXPL-UHFFFAOYSA-N 1 1 454.324 4.815 20 30 JJEDMO O[C@@](C[NH2+]Cc1c(F)cccc1N1CCCC1)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001461836660 1067944482 /nfs/dbraw/zinc/94/44/82/1067944482.db2.gz GXNRCPGHIUJSEZ-IBGZPJMESA-N 1 1 450.398 4.984 20 30 JJEDMO O[C@](C[NH2+]Cc1c(F)cccc1N1CCCC1)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001461836666 1067944500 /nfs/dbraw/zinc/94/45/00/1067944500.db2.gz GXNRCPGHIUJSEZ-LJQANCHMSA-N 1 1 450.398 4.984 20 30 JJEDMO CC(C)(C)OC(=O)NCc1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC001462180348 1068023421 /nfs/dbraw/zinc/02/34/21/1068023421.db2.gz WVBVRVNPFKCSOK-HSZRJFAPSA-N 1 1 455.002 4.747 20 30 JJEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001463346583 1068366330 /nfs/dbraw/zinc/36/63/30/1068366330.db2.gz BNNPSPHLHDTWOW-DYESRHJHSA-N 1 1 453.633 4.660 20 30 JJEDMO N#Cc1ccccc1-c1ccccc1C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001464477024 1068760256 /nfs/dbraw/zinc/76/02/56/1068760256.db2.gz LOVFRGMPRAOWML-UHFFFAOYSA-N 1 1 458.993 4.821 20 30 JJEDMO N#Cc1c(Cl)nc(C(F)(F)N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1C(F)(F)F ZINC001164622493 719112782 /nfs/dbraw/zinc/11/27/82/719112782.db2.gz CAZNZGXWROLRJS-HOCLYGCPSA-N 1 1 471.861 4.666 20 30 JJEDMO CSc1nc(-c2ccccc2)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1C#N ZINC001164697092 719894790 /nfs/dbraw/zinc/89/47/90/719894790.db2.gz JOKMAJSYZCHEIM-UHFFFAOYSA-N 1 1 477.659 4.670 20 30 JJEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4cc(F)c(F)cc4c(Cl)c3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839854 720653656 /nfs/dbraw/zinc/65/36/56/720653656.db2.gz KHNQGNBLLCYPJI-ZMPRRUGASA-N 1 1 470.955 4.612 20 30 JJEDMO CSc1nc(-c2ccccc2)nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164839715 720699892 /nfs/dbraw/zinc/69/98/92/720699892.db2.gz BLELCIXFGXONMB-QHCPKHFHSA-N 1 1 485.657 4.997 20 30 JJEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc4cc(F)ccc4c(Cl)c3C#N)C2)C1 ZINC001164782419 721376523 /nfs/dbraw/zinc/37/65/23/721376523.db2.gz LPORWJWHFKSUBJ-RUZDIDTESA-N 1 1 483.975 4.623 20 30 JJEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc4cc(F)ccc4c(Cl)c3C#N)C2)C1 ZINC001164782419 721376526 /nfs/dbraw/zinc/37/65/26/721376526.db2.gz LPORWJWHFKSUBJ-RUZDIDTESA-N 1 1 483.975 4.623 20 30 JJEDMO N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164782538 721439772 /nfs/dbraw/zinc/43/97/72/721439772.db2.gz KESJYQNYZWRRSO-HDICACEKSA-N 1 1 471.964 4.843 20 30 JJEDMO N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164782538 721439774 /nfs/dbraw/zinc/43/97/74/721439774.db2.gz KESJYQNYZWRRSO-HDICACEKSA-N 1 1 471.964 4.843 20 30 JJEDMO N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164787607 721439789 /nfs/dbraw/zinc/43/97/89/721439789.db2.gz XUAMCFCUKWIWHA-QZTJIDSGSA-N 1 1 471.964 4.843 20 30 JJEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3ccc(C)cc3c(Cl)c1C#N)CC2 ZINC001164786793 721474667 /nfs/dbraw/zinc/47/46/67/721474667.db2.gz CGTXEPOSFJFDDX-NRFANRHFSA-N 1 1 483.056 4.802 20 30 JJEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1F ZINC001164906999 721706751 /nfs/dbraw/zinc/70/67/51/721706751.db2.gz PJRAWSAOPGXDGG-DEOSSOPVSA-N 1 1 498.940 4.940 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@H]21 ZINC001165024213 721813705 /nfs/dbraw/zinc/81/37/05/721813705.db2.gz JULWGOLWWKTLRU-XVWGUNQUSA-N 1 1 476.987 4.940 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@H]21 ZINC001165029055 721825074 /nfs/dbraw/zinc/82/50/74/721825074.db2.gz WSGBAYMJDSNRBO-HNPKZYAISA-N 1 1 467.617 4.859 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@H]21 ZINC001165027052 721830548 /nfs/dbraw/zinc/83/05/48/721830548.db2.gz RJQNFORNZLSLFQ-CEMLEFRQSA-N 1 1 474.996 4.926 20 30 JJEDMO N#Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164975676 722122057 /nfs/dbraw/zinc/12/20/57/722122057.db2.gz KGACOUQFWGKANO-RDGATRHJSA-N 1 1 481.625 4.957 20 30 JJEDMO C=CCOC[C@@H]1CCC[C@@]12CN(c1nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c31)CCO2 ZINC001164976122 722168929 /nfs/dbraw/zinc/16/89/29/722168929.db2.gz JTWBBWYLRLKKHP-HFZDXXHNSA-N 1 1 470.683 4.872 20 30 JJEDMO C=CCOC[C@H]1CCC[C@@]12CN(c1nc(C[NH+](C)C)nc3scc(-c4ccccc4)c31)CCO2 ZINC001164976173 722169815 /nfs/dbraw/zinc/16/98/15/722169815.db2.gz KEIWZGYDTGSRTO-JIPXPUAJSA-N 1 1 478.662 4.998 20 30 JJEDMO CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CCS1 ZINC001359747760 1064330311 /nfs/dbraw/zinc/33/03/11/1064330311.db2.gz HXLFCKRSTHYMFC-JTHBVZDNSA-N 1 1 452.672 4.515 20 30 JJEDMO CC(C)Cc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CCCSc1nccs1 ZINC001359841277 1064528303 /nfs/dbraw/zinc/52/83/03/1064528303.db2.gz IPCGBDKELRLQAC-UHFFFAOYSA-N 1 1 495.722 4.699 20 30 JJEDMO CC(C)Cc1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001359859584 1064547650 /nfs/dbraw/zinc/54/76/50/1064547650.db2.gz ABKUTRRWXDYRBE-YADHBBJMSA-N 1 1 474.575 4.964 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(-c3cc(F)ccc3Br)nnc2N(C)[C@@H](C)CC#N)C1 ZINC001360008101 1064796095 /nfs/dbraw/zinc/79/60/95/1064796095.db2.gz KTKPXJUKGWTHRN-ROUUACIJSA-N 1 1 491.453 4.953 20 30 JJEDMO CC(C)C[N@H+]1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCCN(c3ccccc3C#N)CC2)C1 ZINC001360009771 1064799860 /nfs/dbraw/zinc/79/98/60/1064799860.db2.gz FLYHPVCTFAEKAF-DEOSSOPVSA-N 1 1 491.728 4.823 20 30 JJEDMO C[C@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001360480649 1065399784 /nfs/dbraw/zinc/39/97/84/1065399784.db2.gz DRWQORYKHLNQMB-KHCICDEESA-N 1 1 482.629 4.879 20 30 JJEDMO C[C@@H](CC#N)N(C)c1nnc(COc2ccc(Cl)cc2Cl)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001360481227 1065400724 /nfs/dbraw/zinc/40/07/24/1065400724.db2.gz MXUGTVKPPUDJRE-HOTGVXAUSA-N 1 1 474.396 4.676 20 30 JJEDMO C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001360483563 1065403820 /nfs/dbraw/zinc/40/38/20/1065403820.db2.gz YVYNFYYIWSRNDB-MLDBQTBOSA-N 1 1 456.679 4.732 20 30 JJEDMO C[C@H](CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1[N@@H+](C)CCCC1(C)C)c1nccs1 ZINC001360521674 1065496388 /nfs/dbraw/zinc/49/63/88/1065496388.db2.gz XQHJVLUEGBNYFL-WIYYLYMNSA-N 1 1 463.655 4.634 20 30 JJEDMO C[C@H](Cn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[C@](C)(C#N)C1)[N@@H+](C)C1CC1 ZINC001360540940 1065526739 /nfs/dbraw/zinc/52/67/39/1065526739.db2.gz JWHYKLLBECYJGC-IVZQSRNASA-N 1 1 491.865 4.974 20 30 JJEDMO C[C@@H](CC#N)N(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H]1CCCn2cc[nH+]c21 ZINC001360753947 1065801417 /nfs/dbraw/zinc/80/14/17/1065801417.db2.gz LRNNKOQHTMCXNX-BZSNNMDCSA-N 1 1 453.978 4.584 20 30 JJEDMO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001360770001 1065863903 /nfs/dbraw/zinc/86/39/03/1065863903.db2.gz RHUJUQNXCSCEHG-RLSLOFABSA-N 1 1 472.584 4.654 20 30 JJEDMO CC1(C#N)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001360792687 1065907066 /nfs/dbraw/zinc/90/70/66/1065907066.db2.gz YIDPAVPYFUQAMW-UHFFFAOYSA-N 1 1 475.424 4.556 20 30 JJEDMO C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001440735259 1065972692 /nfs/dbraw/zinc/97/26/92/1065972692.db2.gz RJBVNMRNUGUSRY-JOCHJYFZSA-N 1 1 450.970 4.657 20 30 JJEDMO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001441355172 1066032515 /nfs/dbraw/zinc/03/25/15/1066032515.db2.gz ARQZOQXSPRUVHJ-NQIIRXRSSA-N 1 1 450.023 4.713 20 30 JJEDMO Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[N@H+](C)C2CCCCC2)c1 ZINC001361026643 1066226893 /nfs/dbraw/zinc/22/68/93/1066226893.db2.gz DVRMXWVVXFLYAU-AREMUKBSSA-N 1 1 468.621 4.571 20 30 JJEDMO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001454122686 1066248506 /nfs/dbraw/zinc/24/85/06/1066248506.db2.gz UFUSPSDJNNFODO-GOTSBHOMSA-N 1 1 455.643 4.655 20 30 JJEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cccc(CNc4ncccc4C#N)c3)cc2)C1 ZINC001445051124 1066533607 /nfs/dbraw/zinc/53/36/07/1066533607.db2.gz SEXYEIBNPPEVQF-HXUWFJFHSA-N 1 1 455.562 4.538 20 30 JJEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[C@H](C)C1 ZINC001456301534 1066558481 /nfs/dbraw/zinc/55/84/81/1066558481.db2.gz MKKHEMSYRVTRFI-GCJKJVERSA-N 1 1 455.986 4.871 20 30 JJEDMO C[N@@H+](CCN(Cc1ccccc1)C(=O)c1cc(-c2cccc(C#N)c2)no1)Cc1ccccc1 ZINC001457043173 1066751081 /nfs/dbraw/zinc/75/10/81/1066751081.db2.gz ZLYVSFUIYZUUEN-UHFFFAOYSA-N 1 1 450.542 4.988 20 30 JJEDMO Cc1[nH+]ccn1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001492709101 1066873041 /nfs/dbraw/zinc/87/30/41/1066873041.db2.gz XTVFKUBRZCDWPI-UHFFFAOYSA-N 1 1 459.598 4.507 20 30 JJEDMO C=CC[C@@]1(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)CCCN1C(=O)OC(C)(C)C ZINC001449228543 1066991377 /nfs/dbraw/zinc/99/13/77/1066991377.db2.gz NJFWLQLTWVSCJS-LVXARBLLSA-N 1 1 453.583 4.573 20 30 JJEDMO CC[C@H](c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545736939 1067001428 /nfs/dbraw/zinc/00/14/28/1067001428.db2.gz XPEKLKFOOBOUDC-ZDXQCDESSA-N 1 1 478.685 4.838 20 30 JJEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC001458347510 1067037729 /nfs/dbraw/zinc/03/77/29/1067037729.db2.gz HQIXYCYHZMAIRU-RCZVLFRGSA-N 1 1 455.606 4.721 20 30 JJEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C ZINC001458347518 1067038065 /nfs/dbraw/zinc/03/80/65/1067038065.db2.gz HQIXYCYHZMAIRU-RDGATRHJSA-N 1 1 455.606 4.721 20 30 JJEDMO N#Cc1cccnc1NCc1cccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001450831462 1067127647 /nfs/dbraw/zinc/12/76/47/1067127647.db2.gz GKZMSYFNHJXPQD-XMMPIXPASA-N 1 1 453.590 4.597 20 30 JJEDMO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC001459307136 1067289179 /nfs/dbraw/zinc/28/91/79/1067289179.db2.gz FGVHQAHAJKUJTE-UHFFFAOYSA-N 1 1 455.562 4.697 20 30 JJEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC001459307136 1067289194 /nfs/dbraw/zinc/28/91/94/1067289194.db2.gz FGVHQAHAJKUJTE-UHFFFAOYSA-N 1 1 455.562 4.697 20 30 JJEDMO C=CCN(C(=O)C[N@H+]1CCCC[C@H]1[C@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459455099 1067327759 /nfs/dbraw/zinc/32/77/59/1067327759.db2.gz QXHFOWQVSCISDP-LIRRHRJNSA-N 1 1 454.423 4.871 20 30 JJEDMO C=CCN(C(=O)C[N@@H+]1CCCC[C@H]1[C@H](C)O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459455099 1067327768 /nfs/dbraw/zinc/32/77/68/1067327768.db2.gz QXHFOWQVSCISDP-LIRRHRJNSA-N 1 1 454.423 4.871 20 30 JJEDMO C#CC[N@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001459505852 1067340108 /nfs/dbraw/zinc/34/01/08/1067340108.db2.gz DHEAREMVIDGGME-OALUTQOASA-N 1 1 454.286 4.960 20 30 JJEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H](C)[N@@H+](Cc4ccccc4)C[C@H]3C)sc2C1 ZINC001459771912 1067415658 /nfs/dbraw/zinc/41/56/58/1067415658.db2.gz OGBNXXDGVXJLHD-VAMGGRTRSA-N 1 1 450.652 4.668 20 30 JJEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](C)N(Cc4ccccc4)C[C@H]3C)sc2C1 ZINC001459771912 1067415660 /nfs/dbraw/zinc/41/56/60/1067415660.db2.gz OGBNXXDGVXJLHD-VAMGGRTRSA-N 1 1 450.652 4.668 20 30 JJEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@@H](C)N(Cc4ccccc4)C[C@H]3C)sc2C1 ZINC001459771912 1067415663 /nfs/dbraw/zinc/41/56/63/1067415663.db2.gz OGBNXXDGVXJLHD-VAMGGRTRSA-N 1 1 450.652 4.668 20 30 JJEDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)cc1 ZINC001459795010 1067427031 /nfs/dbraw/zinc/42/70/31/1067427031.db2.gz IZGGPPVBWAVBRJ-HSZRJFAPSA-N 1 1 459.615 4.724 20 30 JJEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC001459823974 1067440275 /nfs/dbraw/zinc/44/02/75/1067440275.db2.gz GCRURSYIVFKVFB-OAHLLOKOSA-N 1 1 451.518 4.572 20 30 JJEDMO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1cccc(C(F)(F)F)c1 ZINC001459836657 1067446854 /nfs/dbraw/zinc/44/68/54/1067446854.db2.gz QCODPWSFRZGWLI-FQEVSTJZSA-N 1 1 453.892 4.891 20 30 JJEDMO CCC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H](C)CC(=O)Nc1ccccc1 ZINC001460003408 1067522865 /nfs/dbraw/zinc/52/28/65/1067522865.db2.gz PXWVDCLGICOMEU-SFHVURJKSA-N 1 1 452.624 4.956 20 30 JJEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001460015279 1067528222 /nfs/dbraw/zinc/52/82/22/1067528222.db2.gz IVEOKMQUYZEZBW-YADHBBJMSA-N 1 1 456.631 4.565 20 30 JJEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)C2)s1 ZINC001460073659 1067546901 /nfs/dbraw/zinc/54/69/01/1067546901.db2.gz PGDFGVHPKACCBF-HXUWFJFHSA-N 1 1 459.059 4.719 20 30 JJEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCCC[C@@H]3Cc3cccc(Br)c3)C2=O)cc1 ZINC001460280452 1067597017 /nfs/dbraw/zinc/59/70/17/1067597017.db2.gz SLXLNEPBHGMPQE-DHIUTWEWSA-N 1 1 452.396 4.913 20 30 JJEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCCC[C@@H]3Cc3cccc(Br)c3)C2=O)cc1 ZINC001460280452 1067597019 /nfs/dbraw/zinc/59/70/19/1067597019.db2.gz SLXLNEPBHGMPQE-DHIUTWEWSA-N 1 1 452.396 4.913 20 30 JJEDMO C[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001460341388 1067612001 /nfs/dbraw/zinc/61/20/01/1067612001.db2.gz GUIJFGFBGPEECJ-VAMGGRTRSA-N 1 1 450.652 4.810 20 30 JJEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001460611855 1067671753 /nfs/dbraw/zinc/67/17/53/1067671753.db2.gz UBIDXFFSCCYHQR-YADHBBJMSA-N 1 1 456.631 4.708 20 30 JJEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001460611855 1067671759 /nfs/dbraw/zinc/67/17/59/1067671759.db2.gz UBIDXFFSCCYHQR-YADHBBJMSA-N 1 1 456.631 4.708 20 30 JJEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)C2(CNC(=O)OC(C)(C)C)CCCCC2)cc1C ZINC001460710832 1067706335 /nfs/dbraw/zinc/70/63/35/1067706335.db2.gz RIWMVNNNLRGBKQ-UHFFFAOYSA-N 1 1 456.631 4.710 20 30 JJEDMO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC001460753706 1067716597 /nfs/dbraw/zinc/71/65/97/1067716597.db2.gz ZBBGVJLQCNBVMT-NVXWUHKLSA-N 1 1 450.423 4.692 20 30 JJEDMO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC001460753706 1067716601 /nfs/dbraw/zinc/71/66/01/1067716601.db2.gz ZBBGVJLQCNBVMT-NVXWUHKLSA-N 1 1 450.423 4.692 20 30 JJEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001460776292 1067721631 /nfs/dbraw/zinc/72/16/31/1067721631.db2.gz VUMGTIFCWBRNDT-CEXWTWQISA-N 1 1 460.644 4.502 20 30 JJEDMO O=C(CC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)Nc1ccccc1Cl ZINC001460879477 1067740774 /nfs/dbraw/zinc/74/07/74/1067740774.db2.gz WVBFDHFPEUBNTL-AOOOYVTPSA-N 1 1 450.757 4.771 20 30 JJEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001463346589 1068366303 /nfs/dbraw/zinc/36/63/03/1068366303.db2.gz BNNPSPHLHDTWOW-UWJYYQICSA-N 1 1 453.633 4.660 20 30 JJEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4scc(Br)c4c3)CC2)cc1 ZINC001463838689 1068543190 /nfs/dbraw/zinc/54/31/90/1068543190.db2.gz RCBFSWRBJKJMSZ-UHFFFAOYSA-N 1 1 454.393 4.884 20 30 JJEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4scc(Br)c4c3)CC2)cc1 ZINC001463838689 1068543200 /nfs/dbraw/zinc/54/32/00/1068543200.db2.gz RCBFSWRBJKJMSZ-UHFFFAOYSA-N 1 1 454.393 4.884 20 30 JJEDMO Cc1ccc(C(=O)/C=C/C(=O)Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC001464072185 1068605650 /nfs/dbraw/zinc/60/56/50/1068605650.db2.gz IAHUKEOXQMMETR-FOCLMDBBSA-N 1 1 453.586 4.690 20 30 JJEDMO C=CCC[C@@H](C(=O)N1CC[NH+](CCCc2nc(-c3ccc(C)cc3)no2)CC1)c1ccccc1 ZINC001464076320 1068607030 /nfs/dbraw/zinc/60/70/30/1068607030.db2.gz GITALIRUHMYFDW-RUZDIDTESA-N 1 1 458.606 4.872 20 30 JJEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)cc1F ZINC001164673966 719511080 /nfs/dbraw/zinc/51/10/80/719511080.db2.gz VZQDPYWOCMNWGR-UHFFFAOYSA-N 1 1 495.961 4.818 20 30 JJEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)cc1F ZINC001164673966 719511091 /nfs/dbraw/zinc/51/10/91/719511091.db2.gz VZQDPYWOCMNWGR-UHFFFAOYSA-N 1 1 495.961 4.818 20 30 JJEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc([C@H](C#N)c4ccccc4F)nn2)CC3)cs1 ZINC001164694113 719811091 /nfs/dbraw/zinc/81/10/91/719811091.db2.gz VALMVIMUOZRRRW-OAQYLSRUSA-N 1 1 462.598 4.671 20 30 JJEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc([C@@H](C#N)c4ccccc4F)nn2)CC3)cs1 ZINC001164694111 719811198 /nfs/dbraw/zinc/81/11/98/719811198.db2.gz VALMVIMUOZRRRW-NRFANRHFSA-N 1 1 462.598 4.671 20 30 JJEDMO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707024 719910062 /nfs/dbraw/zinc/91/00/62/719910062.db2.gz MNEWNATYPSRIRC-UHFFFAOYSA-N 1 1 474.964 4.971 20 30 JJEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164748585 720873552 /nfs/dbraw/zinc/87/35/52/720873552.db2.gz GBAWAIHTJJEQAG-FREGXXQWSA-N 1 1 497.618 4.909 20 30 JJEDMO N#Cc1ccc(-c2cccs2)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164751414 720912022 /nfs/dbraw/zinc/91/20/22/720912022.db2.gz MHGMGLAFFQKKKP-YWEHKCAJSA-N 1 1 485.657 4.832 20 30 JJEDMO N#Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc2ccc(Cl)cc12 ZINC001164749173 720930339 /nfs/dbraw/zinc/93/03/39/720930339.db2.gz IEADNKZPBNVUSV-LXFBAYGMSA-N 1 1 488.035 4.910 20 30 JJEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164870851 721195710 /nfs/dbraw/zinc/19/57/10/721195710.db2.gz WQHNWEQMCMYNPS-PKTZIBPZSA-N 1 1 495.961 4.693 20 30 JJEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@H]3C2)cn1 ZINC001164762697 721247755 /nfs/dbraw/zinc/24/77/55/721247755.db2.gz LHGAONUOXBDCNJ-LEWJYISDSA-N 1 1 482.966 4.510 20 30 JJEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)c(C#N)c(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164768948 721250793 /nfs/dbraw/zinc/25/07/93/721250793.db2.gz ZDPHQRXAIHEAOU-CVEARBPZSA-N 1 1 491.373 4.650 20 30 JJEDMO N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164782558 721439944 /nfs/dbraw/zinc/43/99/44/721439944.db2.gz KESJYQNYZWRRSO-QZTJIDSGSA-N 1 1 471.964 4.843 20 30 JJEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164904704 721568179 /nfs/dbraw/zinc/56/81/79/721568179.db2.gz FJBGCJCCTHXSNU-CTNGQTDRSA-N 1 1 499.924 4.695 20 30 JJEDMO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907096 721584772 /nfs/dbraw/zinc/58/47/72/721584772.db2.gz RMRGMGWRHBERKE-LJQANCHMSA-N 1 1 488.316 4.938 20 30 JJEDMO Cc1ccc([C@H](C#N)c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164905674 721585859 /nfs/dbraw/zinc/58/58/59/721585859.db2.gz KKHFXOGLXIEJAM-OZXSUGGESA-N 1 1 474.559 4.573 20 30 JJEDMO N#Cc1c(Cl)c2ccccc2nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164907036 721722759 /nfs/dbraw/zinc/72/27/59/721722759.db2.gz PQVWHVYTDPCKLZ-QHCPKHFHSA-N 1 1 453.924 4.893 20 30 JJEDMO CC1(C)CCCc2cc(C#N)c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164912629 721736834 /nfs/dbraw/zinc/73/68/34/721736834.db2.gz OZPORAQMXWCNPV-RUZDIDTESA-N 1 1 451.565 4.700 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)C[C@H]21 ZINC001165028057 721801183 /nfs/dbraw/zinc/80/11/83/721801183.db2.gz YBHNKZJRCPUMBH-POZUXBRTSA-N 1 1 466.363 4.937 20 30 JJEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@@H]21 ZINC001165024207 721813779 /nfs/dbraw/zinc/81/37/79/721813779.db2.gz JULWGOLWWKTLRU-CODAWKSHSA-N 1 1 476.987 4.940 20 30 JJEDMO CSc1nc(-c2ccccc2)nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N ZINC001165027822 721817128 /nfs/dbraw/zinc/81/71/28/721817128.db2.gz VYYRGADTSQXHOI-TUACAJSNSA-N 1 1 470.646 4.869 20 30 JJEDMO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164972646 722159570 /nfs/dbraw/zinc/15/95/70/722159570.db2.gz IUYFYOKYZHVSIV-UTKZUKDTSA-N 1 1 468.388 4.536 20 30 JJEDMO C=CCOC[C@@H]1CCC[C@@]12CN(c1nc(C[NH+](CC)CC)nc3sc(C)c(C)c31)CCO2 ZINC001164979994 722169337 /nfs/dbraw/zinc/16/93/37/722169337.db2.gz VYRGQXRTOJUINU-NBGIEHNGSA-N 1 1 458.672 4.728 20 30 JJEDMO